Skip to main content
ConductScienceScienceDex
Powered by ShareScore

Find research datasets worth reusing

Search datasets from major research repositories and use ShareScore to quickly assess how well each record supports discovery, access, and reuse.

64

datasets available to search

ShareScore release 0.9.0

Reset

Dataset results

64 results for “Cathode”

Learn how ShareScore rates datasets ↗
ClinicalTrials.gov32/100

The Effects of Cathodal tDCS on Muscle Strength in Healthy Adults

ClinicalTrials.gov study NCT04672122. IPD Sharing: NO. Countries: 1. Publications: 1.

closedIPD-NOFeb 2026View details →
ClinicalTrials.gov32/100

A Controlled Clinical Trial of Cathodal Transcranial Direct Current Stimulation in Patients With Refractory Epilepsy

ClinicalTrials.gov study NCT01763294. IPD Sharing: Not stated. Countries: 1. Publications: 3.

restrictedIPD-UNDECIDEDFeb 2026View details →
ClinicalTrials.gov32/100

The Efficacy of Cathodal tDCS in ADHD

ClinicalTrials.gov study NCT03955692. IPD Sharing: NO. Countries: 1. Publications: 1.

closedIPD-NOFeb 2026View details →
zenodo28/100

Metadata - Tuning the electrochemical performance of covalent organic framework cathodes for Li- and Mg-based batteries: the influence of electrolyte and binder

Open the record for dataset details and reuse information.

opencc-by-4.0Dec 2023View details →
zenodo28/100

Data for Paper "Comparison of Longitudinal Wrinkle Formation During Calendering of NMC811 and LFP Cathodes"

<p>geometry data: laser and 3d scans; bending data; strain data</p>

opencc-by-4.0May 2024View details →
zenodo28/100

Energy distribution of negatively and positively charged ions in a magnetron sputtering discharge with a tungsten cathode and a positively biased anode in an argon/oxygen gas mixture.

<p>The energy distribution of negatively and positively charged ions in a magnetron discharge with a positively biased anode is investigated. A tungsten cathode operated in an argon/oxygen gas mixture is employed. The magnetron is operated either in direct current (DCMS) or in high power impulse magnetron sputtering (HiPIMS) mode.</p>

openNov 2024View details →
zenodo28/100

Dataset associated to: Nanoscaffold effects on the performance of air-cathodes for microbial fuel cells: Sustainable Fe/N-carbon electrocatalysts for the oxygen reduction reaction under neutral pH conditions

<p>This file contains the dataset associated to the published research article &quot;Nanoscaffold effects on air-cathode performance in microbial fuel cells: Fe/N-carbon electrocatalysts for the oxygen reduction reaction under neutral pH conditions&quot;. The dataset contains X-ray powder diffraction, Inductively Coupled Plasma Emission Spectroscopy, elemental analysis, measurements of the specific surface area, transmission electron microscopies, x-ray photoelectron microscopy, electrochemistry and microbial fuel cells power outputs data from their relative instruments. This &nbsp;project &nbsp;has &nbsp;received &nbsp;funding &nbsp;from &nbsp;the &nbsp;European &nbsp;Union&#39;s &nbsp;Horizon &nbsp;2020 &nbsp;research &nbsp;and innovation &nbsp;programme &nbsp;under &nbsp;the &nbsp;Marie &nbsp;Skłodowska-Curie &nbsp;grant &nbsp;agreements &nbsp;No. &nbsp;799175 (HiBriCarbon) &nbsp;and &nbsp;No. &nbsp;748968 &nbsp;(EDGE-FREEMAB). &nbsp;The &nbsp;results &nbsp;of &nbsp;this &nbsp;publication &nbsp;reflect only the authors&#39; view and the Commission is not responsible for any use that may be made of the information it contains. This publication has also emanated from research conducted with the &nbsp;financial &nbsp;support &nbsp;of &nbsp;Science &nbsp;Foundation &nbsp;Ireland &nbsp;under &nbsp;Grant &nbsp;No. &nbsp;13/CDA/2213 &nbsp;and 19/FFP/6761. &nbsp;SI &nbsp;kindly &nbsp;acknowledges &nbsp;support &nbsp;by &nbsp;the &nbsp;Department &nbsp;of &nbsp;Social &nbsp;Justice &nbsp;State Government &nbsp;of &nbsp;Maharashtra, &nbsp;India. &nbsp;</p>

opencc-by-4.0Oct 2021View details →
zenodo28/100

Enhanced surface area carbon cathodes for the hydrogen-bromine redox flow battery

<p>Raw data by published figure</p>

opencc-by-4.0Dec 2022View details →
ClinicalTrials.gov28/100

Cathodal tDCS in MCI: A Randomized, Double-Blind, Sham-Controlled Pilot Study

ClinicalTrials.gov study NCT03521089. IPD Sharing: NO. Countries: 1. Publications: 0.

closedIPD-NOFeb 2026View details →
geo24/100

Gene expression of D. vulgaris Hildenborough grown on an iron electrode under cathodic protection conditions

GEO Series GSE10388. Nitratidesulfovibrio vulgaris str. Hildenborough. 4 samples. Type: Expression profiling by array.

openGEO-OpenFeb 2008View details →
zenodo24/100

Dataset for DOI:10.1039/D0SE00087F "Are MXenes suitable as cathode materials for rechargeable Mg batteries?"

<p>VASP files, input structures, and log-files from simulations included in paper &quot;Are MXenes suitable as cathode materials for rechargeable Mg batteries?&quot;.&nbsp;<a href="https://doi.org/10.1039/D0SE00087F">https://doi.org/10.1039/D0SE00087F</a>&nbsp;</p> <p>&nbsp;</p> <p>Folder structure:&nbsp;</p> <p>.<br> ├── Li<br> │ &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> ├── Mg<br> │ &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> ├── Ti3C2F2<br> │ &nbsp; ├── dlli<br> │ &nbsp; │ &nbsp; └── exp_stacking<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_0mg -&gt; ../../dlmg/exp_stacking/3x3_0mg/<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1li_cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1li_cc2<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1li_mm<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── neb_cc2cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 05<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 06<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb_cc2mm<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; ├── dlmg<br> │ &nbsp; │ &nbsp; └── exp_stacking<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_0mg<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1mg_cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1mg_cc2<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1mg_mm<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── neb_cc2cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── 05<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── 06<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── neb.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── readme<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb_cc2mm<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; ├── mlli<br> │ &nbsp; │ &nbsp; └── exp_stacking<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 1x1_0mg<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── 1x1_2li_cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; ├── mlmg<br> │ &nbsp; │ &nbsp; └── exp_stacking<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 1x1_0mg<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── 1x1_2mg_cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; ├── neb_cc2mm<br> │ &nbsp; ├── readme<br> │ &nbsp; ├── slli<br> │ &nbsp; │ &nbsp; └── 3x3<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── c<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── m<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── neb_c2m<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 05<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── t<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; ├── slmg<br> │ &nbsp; │ &nbsp; ├── 1x1<br> │ &nbsp; │ &nbsp; │ &nbsp; └── 0mg<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; └── 3x3<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 0mg<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── c<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── m<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── neb_c2m<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 05<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── t<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; └── slmgcl<br> │ &nbsp; &nbsp; &nbsp; └── 3x3<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── c<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── m<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── t<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> ├── Ti3C2O2<br> │ &nbsp; ├── dlli<br> │ &nbsp; │ &nbsp; └── exp_stacking<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_0mg -&gt; /cluster/home/jacobhad/syst/si/tico/dlmg/ccmmtt/3x3_0mg/<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1li_cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1li_cc2<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1li_mm<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── neb_cc2cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 05<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 06<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb_cc2mm<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; ├── dlmg<br> │ &nbsp; │ &nbsp; └── exp_stacking<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_0mg<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1mg_cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1mg_cc2<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1mg_mm<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── neb_cc2cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── fe.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 05<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 06<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 1.neb.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb_cc2mm<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; ├── mlli<br> │ &nbsp; │ &nbsp; └── exp_stacking<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 1x1_0mg -&gt; ../../mlmg/exp_stacking/1x1_0mg<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── 1x1_2li_cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── bader<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ACF.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; ├── mlmg<br> │ &nbsp; │ &nbsp; └── exp_stacking<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 1x1_0mg<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── bader<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ACF.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── 1x1_2mg_cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── bader<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ACF.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; ├── slli<br> │ &nbsp; │ &nbsp; └── 3x3<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── c<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── m<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── neb_c2m<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 05<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── t<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; ├── slmg<br> │ &nbsp; │ &nbsp; ├── 1x1<br> │ &nbsp; │ &nbsp; │ &nbsp; └── 0mg<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; └── 3x3<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 0mg<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── c<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── m<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── neb_c2c<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── neb_c2m<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── fe.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── vaspout.eps<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 05<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── t<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; └── slmgcl<br> │ &nbsp; &nbsp; &nbsp; └── 3x3<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── c<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── m<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── neb_c2m<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 05<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── t<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> ├── Ti3C2O2H2<br> │ &nbsp; ├── mlmg<br> │ &nbsp; │ &nbsp; └── exp_stacking<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 1x1_0mg<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── 1x1_2mg_cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; └── slmg<br> │ &nbsp; &nbsp; &nbsp; ├── 1x1<br> │ &nbsp; &nbsp; &nbsp; └── 3x3<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 0mg<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── c<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── m<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── neb_c2m<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 05<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── t<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> ├── V2CF2<br> │ &nbsp; ├── dlli<br> │ &nbsp; │ &nbsp; └── exp_stacking<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_0mg -&gt; ../../dlmg/exp_stacking/3x3_0mg<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1li_cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1li_cc2<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1li_mm<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── neb_cc2cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 05<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 06<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb_cc2mm<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; ├── dlmg<br> │ &nbsp; │ &nbsp; └── exp_stacking<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 1x1_0mg<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_0mg<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1mg_cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1mg_cc2<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1mg_mm<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── neb_cc2cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 05<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 06<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb_cc2mm<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; ├── mlli<br> │ &nbsp; │ &nbsp; └── exp_stacking<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── 1x1_2li_cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── first_POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── readme<br> │ &nbsp; ├── mlmg<br> │ &nbsp; │ &nbsp; └── exp_stacking<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 1x1_0mg<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── 1x1_2mg_cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── first_poscar<br> │ &nbsp; ├── slli<br> │ &nbsp; │ &nbsp; └── 3x3<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── c<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── m<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── neb_c2m<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 05<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── t<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; ├── slmg<br> │ &nbsp; │ &nbsp; ├── 1x1<br> │ &nbsp; │ &nbsp; │ &nbsp; └── 0mg<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; └── 3x3<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 0mg<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── c<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── m<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── neb_c2m<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 05<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── t<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; └── slmgcl<br> │ &nbsp; &nbsp; &nbsp; └── 3x3<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── c<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── m<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── neb_c2m<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── t<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> ├── V2CO2<br> │ &nbsp; ├── dlli<br> │ &nbsp; │ &nbsp; └── exp_stacking<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_0mg -&gt; ../../dlmg/exp_stacking/3x3_0mg/<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1li_cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1li_cc2<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1li_mm<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── neb_cc2cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 05<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 06<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb_cc2mm<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; ├── dlmg<br> │ &nbsp; │ &nbsp; └── exp_stacking<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 1x1_0mg<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_0mg<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1mg_cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1mg_cc2<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 3x3_1mg_mm<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── neb_cc2cc_unconverged<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 05<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 06<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb_cc2mm<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── fe.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── fe.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── vaspout.eps<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── fe.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── vaspout.eps<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── fe.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── vaspout.eps<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── fe.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── 1neb.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── neb.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── readme<br> │ &nbsp; ├── mlli<br> │ &nbsp; │ &nbsp; └── exp_stacking<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 1x1_0mg<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── 1x1_2li_cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── bader<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ACF.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; ├── mlmg<br> │ &nbsp; │ &nbsp; └── exp_stacking<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 1x1_0mg<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── bader<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ACF.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── 1x1_2mg_cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── bader<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── ACF.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── test<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── better_geo<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ACF.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ngxf<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── 048x252_default<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── 1x32_slurm<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ae.bader.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ce.bader.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ref_ve.bader.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── ve.bader.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── 096x504<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ae.bader.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ce.bader.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ref_ve.bader.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── ve.bader.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── 192x1008<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ae.bader.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ce.bader.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ref_ve.bader.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── ve.bader.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── 192x1008_ediff9<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── ACF.default.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ae.bader.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ce.bader.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ref_ve.bader.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── ve.bader.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── 384x2016<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ae.bader.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ce.bader.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ref_ve.bader.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── ve.bader.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── readme<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── symmetric_geo<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── elec_extra_cutoff<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── ACF.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── geo_rel_output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── ACF.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── ori.acf.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ACF.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── test_original_geo<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; ├── readme<br> │ &nbsp; ├── slli<br> │ &nbsp; │ &nbsp; └── 3x3<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── c<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── m<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── neb_c2m<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 05<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── t<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── first_slurm<br> │ &nbsp; ├── slmg<br> │ &nbsp; │ &nbsp; ├── 1x1<br> │ &nbsp; │ &nbsp; │ &nbsp; └── 0mg<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; └── 3x3<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 0mg<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── c<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── m<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── neb_c2m<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 05<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── t<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; └── slmgcl<br> │ &nbsp; &nbsp; &nbsp; └── 3x3<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── c<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── m<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── neb_c2m<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 05<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── t<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> ├── V2CO2H2<br> │ &nbsp; ├── mlmg<br> │ &nbsp; │ &nbsp; └── exp_stacking<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 1x1_0mg<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── 1x1_2mg_cc<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; └── slmg<br> │ &nbsp; &nbsp; &nbsp; ├── 1x1<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── 0mg<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; └── 3x3<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── 0mg<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── c<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── m<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; &nbsp; &nbsp; └── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── neb<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── output<br> ├── phonons<br> │ &nbsp; ├── Ti3C2F2<br> │ &nbsp; │ &nbsp; └── dim_4_4_1<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── FORCE_SETS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_001<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_002<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_003<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_004<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_005<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_006<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_007<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_008<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_009<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_010<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_011<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_012<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_013<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_014<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ground_state<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── phonon_band.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── sumo_band.yaml<br> │ &nbsp; ├── Ti3C2O2<br> │ &nbsp; │ &nbsp; └── dim_4_4_1<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── FORCE_SETS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_001<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_002<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_003<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_004<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_005<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_006<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_007<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_008<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_009<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_010<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_011<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_012<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_013<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_014<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_015<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_016<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_017<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_018<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_019<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_020<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_021<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_022<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_023<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_024<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_025<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_026<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_027<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_028<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ground_state<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── phonon_band.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── sumo_band.yaml<br> │ &nbsp; ├── Ti3C2O2H2<br> │ &nbsp; │ &nbsp; └── dim_4_4_1<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── FORCE_SETS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_001<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── 1st<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_002<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_003<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_004<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_005<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_006<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_007<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_008<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_009<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_010<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_011<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_012<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_013<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_014<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_015<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_016<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_017<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_018<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_019<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_020<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_021<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_022<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_023<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_024<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_025<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_026<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_027<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_028<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_029<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_030<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_031<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_032<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_033<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_034<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_035<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_036<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ground_state<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── 1st_run<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── 2157899<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── 487005_slurm<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── phonon_band.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── sumo_band.yaml<br> │ &nbsp; ├── V2CF2<br> │ &nbsp; │ &nbsp; └── dim_4_4_1<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── FORCE_SETS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_001<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_002<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_003<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_004<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_005<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_006<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_007<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_008<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_009<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_010<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── 1log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_011<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_012<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_013<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_014<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_015<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_016<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_017<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_018<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_019<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_020<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ground_state<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── phonon_band.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── sumo_band.yaml<br> │ &nbsp; ├── V2CO2<br> │ &nbsp; │ &nbsp; └── dim_4_4_1<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── FORCE_SETS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_001<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_002<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_003<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_004<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_005<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_006<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_007<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_008<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_009<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_010<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_011<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_012<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_013<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_014<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_015<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_016<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_017<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_018<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_019<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── displ_020<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── ground_state<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── phonon_band.dat<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── sumo_band.yaml<br> │ &nbsp; └── V2CO2H2<br> │ &nbsp; &nbsp; &nbsp; └── dim_4_4_1<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── FORCE_SETS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_001<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_002<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_003<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_004<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_005<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_006<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_007<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_008<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_009<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_010<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_011<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_012<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_013<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_014<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_015<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_016<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_017<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_018<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_019<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_020<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_021<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_022<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_023<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_024<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_025<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_026<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_027<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── displ_028<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── ground_state<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── INCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── KPOINTS<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; │ &nbsp; └── log<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; ├── phonon_band.dat<br> │ &nbsp; &nbsp; &nbsp; &nbsp; &nbsp; └── sumo_band.yaml<br> └── readme</p> <p>703 directories, 2099 files</p>

opencc-by-4.0Mar 2020View details →
zenodo24/100

Nanosecond MD of battery cathode materials with electron density description

<p>Data Description for the Paper "Nanosecond Molecular Dynamics of Battery Cathode Materials with Electron Density Description"</p><p>The data associated with this paper is provided in a compressed .zip folder identified as Data_MD_trajectories.zip. Within this archive, each trajectory is labeled with temperature annotations: T=600, T=500, and T=400. Additionally, each trajectory includes an index that corresponds to various initial structures and Na-ion concentrations.</p><p>The Python scripts for the PaINN model are included in the "graphNNP" zip.</p><p>The Python scripts for the charge prediction model are included in the "Charge_Density_Model_scripts.zip"&nbsp;</p><p>Four trained force and energy prediction models are available, identified as follows:</p><p>1. best_model_Node148Int4Force99.pth</p><p>2. best_model_Node148Int3Force99.pth</p><p>3. best_model_Node128Int4Force99.pth</p><p>4. best_model_Node128Int3Force99.pth</p><p>One trained charge model is available and identified as follows:</p><ol><li><a href="https://zenodo.org/api/records/10051133/draft/files/best_model_Charge_predict.pth/content">best_model_Charge_predict.pth</a></li></ol><p>The training datasets utilized for the development of the force and energy prediction models are denoted as follows:</p><p>1. MDDatabase_1.db: The original training dataset derived from Density Functional Theory (DFT) data, used to initially train the 4 energy and force prediction models</p><p>2. MDDatabase_2: Dataset obtained through the active learning framework detailed in the paper on a small unit size cell (-40 atoms)</p><p>3. MDDatabase_3: Another dataset created using the same active learning framework outlined in the paper, on a larger unit cell (-300 atoms)</p>

opencc-by-4.0Oct 2023View details →
zenodo24/100

Data Set of paper_photoelectrocatalytic disinfection of water using titania nanotube photoanodes with carbon cathodes and determination of the radicals produced

Open the record for dataset details and reuse information.

opencc-by-4.0Feb 2024View details →
ClinicalTrials.gov24/100

Cathodal tDCS in Chronic Migraine: Neurophysiological Study and Pilot Therapeutic Trial

ClinicalTrials.gov study NCT02122237. IPD Sharing: Not stated. Countries: 1. Publications: 0.

restrictedIPD-UNDECIDEDFeb 2026View details →
ClinicalTrials.gov24/100

Effects of Cathodal tDCS on Executive Functions in Autism

ClinicalTrials.gov study NCT03235596. IPD Sharing: NO. Countries: 1. Publications: 0.

closedIPD-NOFeb 2026View details →
ClinicalTrials.gov24/100

Circulating Cathodic Antigen Test Compared to Microscopy for Diagnosis of Urinary Schistosomiasis in Sohag

ClinicalTrials.gov study NCT05276414. IPD Sharing: Not stated. Countries: 1. Publications: 0.

restrictedIPD-UNDECIDEDFeb 2026View details →
ClinicalTrials.gov24/100

High Definition Cathodal Transcranial Direct Current Stimulation for Treatment of Refractory Partial Onset Epilepsy

ClinicalTrials.gov study NCT02264652. IPD Sharing: Not stated. Countries: 1. Publications: 0.

restrictedIPD-UNDECIDEDFeb 2026View details →
ClinicalTrials.gov24/100

Cathodal Transcranial Direct Current Stimulation in Patients With Drug-resistant Focal Epilepsy

ClinicalTrials.gov study NCT05951244. IPD Sharing: Not stated. Countries: 1. Publications: 0.

restrictedIPD-UNDECIDEDFeb 2026View details →
ClinicalTrials.gov24/100

Anodal and Cathodal Transcranial Direct Current Stimulation in Stroke Recovery

ClinicalTrials.gov study NCT01601392. IPD Sharing: Not stated. Countries: 1. Publications: 0.

restrictedIPD-UNDECIDEDFeb 2026View details →
ClinicalTrials.gov24/100

The Effects of Anodal and Cathodal tDCS Combined With Conventional Physical Therapy in Patients With Acute Stroke

ClinicalTrials.gov study NCT04577287. IPD Sharing: NO. Countries: 1. Publications: 0.

closedIPD-NOFeb 2026View details →

ScienceDex guides

Understand access before you commit

These curated guides explain access requirements, typical timelines, costs, and reuse considerations for widely used research datasets.

Compare curated datasets

Allen Brain Atlas

Allen Brain Atlas is an Allen Institute collection of brain map atlases, datasets, APIs, and analysis tools covering mouse, human, and non-human primate brain resources.

allen-brain-atlas
neuroscienceopenDocumentation, web resources, and API references are available online.
Last verified 2026-04-30Open record

Annotated Behaviour and Observability Dataset (ABODe)

ABODe is a University of Edinburgh DataShare dataset for behavior classification in group-housed mice using home-cage video, identities, bounding boxes, ground-plate positions, and annotator labels.

abode-home-cage
behavioral-neuroscienceopenThe DataShare record exposes download links for annotations, documentation, license text, and the zipped per-snippet data directory.
Last verified 2026-04-30Open record

DANDI Archive for NWB datasets

DANDI is a BRAIN Initiative archive for publishing and sharing neurophysiology data, including electrophysiology, optophysiology, and behavioral data packaged as NWB and related standards.

dandi-nwb
electrophysiologyopenPublished Dandiset metadata and archive endpoints are available through the production DANDI API.
Last verified 2026-04-30Open record

International Brain Laboratory public data

The International Brain Laboratory public data releases expose standardized mouse decision-making experiments, including Neuropixels recordings, widefield calcium imaging, behavior, and session metadata accessed through the ONE API.

ibl
behavioral-neuroscienceopenPublic sessions can be searched and loaded from the IBL public data server through ONE.
Last verified 2026-04-29Open record

OpenNeuro

OpenNeuro is a free, open platform for sharing neuroimaging datasets, with public search, dataset pages, and download paths for web, S3, DataLad, and the OpenNeuro CLI.

openneuro
neuroscienceopenPublished datasets are available on demand over the internet.
Last verified 2026-04-29Open record