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34 results for “MXene”

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zenodo32/100

Fig. 4 in Magnetic Ti C MXene functionalized with β-cyclodextrin as magnetic solid-phase extraction and in situ derivatization for determining 12 phytohormones in oilseeds by ultra-performance liquid chromatography-tandem mass spectrometry

Fig. 4. Effects of different cleanup sorbents (a), effects of the amount of magnetic solid-phase extraction sorbents (b), effects of the simultaneous derivatization and magnetic solid phase extraction time (c), effects of the desorption time (d). 5 mg rapeseed spiked with 10 ng/g of each analyte.

opennotspecifiedMar 2021View details →
zenodo32/100

Fig. 3 in Magnetic Ti C MXene functionalized with β-cyclodextrin as magnetic solid-phase extraction and in situ derivatization for determining 12 phytohormones in oilseeds by ultra-performance liquid chromatography-tandem mass spectrometry

Fig. 3. SEM image of Ti3C2 (a) and Fe3O4@Ti3C2@β-CD (b), TEM image of Ti3C2(c) and Fe3O4@Ti3C2@β-CD (d), elemental mapping and chemical composition of Fe3O4@Ti3C2@β-CD (e).

opennotspecifiedMar 2021View details →
dryad32/100

Enhancement of microwave absorption bandwidth of MXene nanocomposites through macroscopic design

Open the record for dataset details and reuse information.

publicSep 2020View details →
zenodo28/100

Dataset for publication Synthesis of tubular MXenes with carbon fiber template and use as anodes in lithium-ion batteries

<p>The dataset contains all relevant data and figures regarding the manuscript "Synthesis of tubular MXenes with carbon fiber template and use as anodes in lithium-ion batteries".</p> <p>All Figures are in tiff format and all relevant data are in csv formats.&nbsp;</p> <p>The data in csv format are labelled as specified in the corresping images (e.g. Figure 1a csv file corresponds to data used to plot graphs from Figure 1a etc.).&nbsp;</p> <p>Axis labeling and units are always specified at the beginning of individual columns. If more than one curve was plotted from the csv file, the conditions can also be found at the beginning of corresponding columns.</p>

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

MATLAB code for processing images of the in-situ etching process and analysis of etching kinetics for MAX phase to MXene transformation

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opencc-by-4.0Jun 2024View 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

Ti3C2Tx MXene as Intriguing Material for Electrochemical Capacitor

Open the record for dataset details and reuse information.

opencc-by-4.0Mar 2024View details →
zenodo24/100

MXenes-H2O-DFT

<p>This is a dataset of V2CTx with interlayer monolayer water obtained by Active Learning methods.&nbsp;</p> <p>How to cite: Angew. Chem. Int. Ed. 2023, 62, e202304205 doi.org/10.1002/anie.202304205.</p>

restrictedcc-by-4.0Sep 2024View details →
zenodo24/100

Charge storage and operando electrochemical dilatometry of MXene electrodes in ionic liquids

<p>data and metadata fo the publication with the doi:</p> <p>https://doi.org/10.1016/j.ensm.2024.103771</p> <p>&nbsp;</p>

restrictedcc-by-4.0Oct 2024View details →
zenodo20/100

Ti3C2Tx MXene as Intriguing Material for Electrochemical Capacitor (Manuscript+data)

<p>There are two word files that are uploaded, including the manuscript and the Figures and Tables (data).</p>

restrictedcc-by-4.0Mar 2024View details →
zenodo20/100

Data for: Machine Intelligence Accelerated Design of Conductive MXene Aerogels with Programmable Properties

Open the record for dataset details and reuse information.

openbsd-3-clause-clearMar 2024View details →
zenodo20/100

MXenes-H2O-Proton

<p>This is a dataset of MXenes with monolayer confined water and protons.</p> <p>To be cited as: Angew. Chem. Int. Ed. 2024, e202411849 doi.org/10.1002/anie.202411849.</p>

restrictedcc-by-4.0Sep 2024View details →
zenodo20/100

Ti3C2Tx MXene as Intriguing Material for Electrochemical Capacitor

<p>data and meta for the pulication with the doi:</p> <p><a href="https://doi.org/10.1002/smll.202307165">https://doi.org/10.1002/smll.202307165</a></p>

restrictedcc-by-4.0Mar 2024View details →
geo16/100

Immune profiling and label-free detection of 2D MXenes at the single-cell and tissue level

GEO Series GSE200036. Homo sapiens. 18 samples. Type: Expression profiling by high throughput sequencing.

openGEO-OpenApr 2025View 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