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363 results for “stack”

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zenodo36/100

Stack Overflow's Hidden Nuances: How Does Zip Code Define User Contribution?

<p>Collective intelligence constitutes a foundational element within online community question-and-answering (CQA) platforms, such as Stack Overflow, being the source of most programming-related issues. Despite this relevance, concerns remain regarding issues surrounding user participation. Precedent research tends to focus on simple numerical measurements to analyse participation, which may sideline the inherent, subtler aspects.</p> <p>The proposed study aims to bridge this gap by operationalising 11 distinct metrics to represent user participation, behaviour, and community value across different regions of the USA. The study also conducts inductive content analysis to understand the impact of regional contextual factors on users' knowledge sharing patterns.</p> <p>This replication package is provided for those interested in further examining our research methodology.</p>

opencc-by-4.0Apr 2024View details →
zenodo36/100

Stack Overflow's Hidden Nuances: How Does Zip Code Define User Contribution?

<p>--Collective intelligence constitutes a foundational element within online community question-and-answering (CQA) platforms, such as Stack Overflow, being the source of most programming-related issues. Despite this relevance, concerns remain regarding issues surrounding user participation. Precedent research tends to focus on simple numerical measurements to analyse participation, which may sideline the inherent, subtler aspects.</p> <p>The proposed study aims to bridge this gap by operationalising 11 distinct metrics to represent user participation, behaviour, and community value across different regions of the USA. The study also conducts inductive content analysis to understand the impact of regional contextual factors on users' knowledge sharing patterns.</p> <p>This replication package is provided for those interested in further examining our research methodology.</p>

opencc-by-4.0Apr 2024View details →
zenodo36/100

Harmonising Contributions: Exploring Diversity in Software Engineering through CQA Mining on Stack Overflow – Replication Package

<p>Community question-and-answering platforms dedicated to software engineering, such as&nbsp;Stack Overflow, have assumed indispensable roles in fostering a thriving global knowledge ecosystem.&nbsp;As these platforms suffer from diversity-related issues, investigating the underlying reasons behind such challenges becomes imperative to devise potential intervention strategies.</p> <p>The proposed study highlights&nbsp;Stack Overflow users&rsquo; contribution profiles, both in isolation and relative to various diversity metrics, including GDP and access to electricity. Finally, the study&nbsp;explores whether these contribution profiles extend to the city and state levels.</p> <p>This replication package complements our study, prompting future scholars to further examine our research process or conduct follow up analyses.</p>

opencc-by-4.0Jun 2024View details →
zenodo36/100

Stacked multiband receiver function waveforms for global study of mantle transition zone discontinuities using dense arrays

<p>Please see the readme for a full explanation. This dataset includes the following 1) the nine preferred parameters and their uncertainties 2) the group and stacked observed and best modeled receiver function waveforms and 3) a list of the network codes and stations.&nbsp;</p>

opencc-by-4.0Jul 2024View details →
zenodo36/100

Does Location Influence Coding Practices? A Cross-Regional Study on Stack Overflow Code Quality

<p>Developers routinely integrate Stack Overflow code snippets into their codebases. However, the quality of snippets embedded in users&rsquo; answers remain elusive, and existing evaluations of code quality tend to be language or context-specific. Moreover, literature have found that contribution patterns vary depending on geographical locales, creating an unexplained rift between code quality, user location, and latent contextual regional factors.&nbsp;</p> <p>The proposed study evaluates the quality of SQL, JavaScript, Python, Ruby, and Java snippets across reliability, readability, performance, and security dimensions, benchmarking findings across states in the USA and investigating how different diversity indicators correlate against code quality violations. The study culminates in a series of inductive content analyses that qualitatively supplement prior quality dimensions.</p> <p>This replication package is provided for those interested in further examining our research methodology.</p>

opencc-by-4.0Jul 2024View details →
zenodo36/100

Coding data of manuscript "How Do Developers Utilize Source Code from Stack Overflow?"

<p>This is the coding data for the manuscript&nbsp;&quot;How Do Developers Utilize Source Code from Stack Overflow?&quot;.</p>

opencc-by-4.0Dec 2017View details →
zenodo36/100

Supplementary material for "can you tell me if it smells? A study on how developers discuss code smells and anti-patterns in Stack Overflow"

<p>This dataset contains all data and results from the &quot;Can you tell me if it smells? A study on how developers discuss code smells and anti-patterns in Stack Overflow&quot; paper that was accepted at&nbsp;the&nbsp;22nd International&nbsp;Conference&nbsp;on&nbsp;Evaluation&nbsp;andAssessment&nbsp;in&nbsp;Software&nbsp;Engineering (EASE), Christchurch, New Zealand.</p>

opencc-by-4.0May 2018View details →
zenodo36/100

Contextual Documentation Referencing on Stack Overflow — Supplementary Material

<p>Supplementary material for our paper &quot;Contextual Documentation Referencing on Stack Overflow&quot;.</p>

opencc-by-sa-4.0Feb 2019View details →
zenodo36/100

Dataset with manually validated version histories of Stack Overflow posts

<p>We used this dataset to evaluate different string similarity metrics for SOTorrent (http://sotorrent.org/). For the versions published 2018-11-01 and 2018-12-14, we double-checked and updated the ground truth files.</p> <p>The dataset has been created with this tool: https://github.com/sotorrent/posthistory-gt</p> <p>The dataset has been validated with this tool: https://github.com/sotorrent/posthistory-comparator-gt-cs</p> <p>The dataset has been used in this project: https://github.com/sotorrent/metric-evaluation</p> <p>The most recent version of the files can always be found here: https://github.com/sotorrent/metric-evaluation/tree/master/testdata/samples_comparison</p>

opencc-by-sa-4.0Dec 2016View details →
zenodo36/100

Tif Image Stack - Example of a long sequence that was split into two tif files

<p>These two tif files were recorded during a single time-series capture.&nbsp;</p> <p>20240723_uro3g_t000000.tif - This image stack contains 3984 frames (time slices)</p> <p>20240723_uro3g_t000001.tif - This image stack contains 324 frames (time slices).</p> <p>The total number of frames/time slices should be 4308. (3984 + 324)</p> <p>&nbsp;</p> <p>&nbsp;</p> <p>&nbsp;</p>

opencc-by-4.0Aug 2024View details →
zenodo36/100

Does Location Influence Code Quality? Mining Stack Overflow Snippets Across the United States – Replication Package

<p>Developers routinely integrate Stack Overflow code snippets into their codebases. However, the quality of snippets embedded in users&rsquo; answers remain elusive, and existing evaluations of code quality tend to be language or context-specific. Moreover, literature have found that contribution patterns vary depending on geographical locales, creating an unexplained rift between code quality, user location, and latent contextual regional factors.&nbsp;</p> <p>The proposed study evaluates the quality of SQL, JavaScript, Python, Ruby, and Java snippets across reliability, readability, performance, and security dimensions, benchmarking findings across states in the USA and investigating how different diversity indicators correlate against code quality violations. The study culminates in a series of inductive content analyses that qualitatively supplement prior quality dimensions.</p> <p>This replication package is provided for those interested in further examining our research methodology.</p>

opencc-by-4.0Jul 2024View details →
zenodo36/100

Stack Overflow

Open the record for dataset details and reuse information.

opencc-by-4.0Sep 2024View details →
zenodo36/100

Experimental data used in the article entitled "Engineering an ultra-fine grained microstructure, twins and stacking faults in PBF-LB/M Al-Si alloy via KoBo extrusion method"

<p>Dataset include</p> <p>EBSD results: KOB;O.ang and LPBF_condition.ang</p> <p>Tensile test results:</p> <p>KOBO-processed sample: KOBO.xls</p> <p>LPBF sample: SLM.xls</p>

opencc-by-4.0Sep 2024View details →
zenodo36/100

Example stacked images and best-fit dust SEDs.

<p>Example stacked images, shown in bins of stellar mass and redshift, for the Herschel SPIRE 500 &mu;m band.</p> <p>Stacked far-IR photometry for the whole sample of galaxies (SEDs_all) and for the star-forming only (SEDs_SF). The best-fit<br>dust emission curves, adopted from Casey (2012), are shown in solid green with 1&sigma; standard deviation in grey.</p>

opencc-by-4.0Sep 2024View details →
zenodo36/100

Tendencia de topics y comunidades activas en Stack Exchange

<p>La plataforma Stack Exchange tiene diferentes foros de diversos temas. En estos dataset los que se busca es recorger las tendencias de los topics y, as&iacute;, poder evaluar la actividad de las comunidades dentro de este sitio web. Esto nos permite una visi&oacute;n general sobre qu&eacute; tecnolog&iacute;as y categor&iacute;as generan m&aacute;s interacci&oacute;n en la plataforma.&nbsp;</p>

opencc-by-4.0Nov 2024View details →
zenodo36/100

DNA Stack Data Structure: Data Set of Polyacrylamide Gels

<p>Data set to accompany paper: A Last-In First-Out Stack Data Structure Implemented in DNA, Lopiccolo and Shirt-Ediss et al., Nature Comms 12, 4861 (2021). <a href="https://doi.org/10.1038/s41467-021-25023-6">doi:10.1038/s41467-021-25023-6</a>.</p> <p>The data set contains 32 polyacrylamide gel experiments (reaction sequences and gel images) used for creating the electrophoretic mobility graph in Figure S13 of the SI of the above paper.</p>

opencc-by-4.0Jul 2021View details →
zenodo36/100

Artifacts for the FDL21 Paper: In-Vivo Stack Overflow Detection and Stack Size Estimation for Low-End Multithreaded Operating Systems using Virtual Prototypes

<p>Artifacts for the evaluation of the paper <em>In-Vivo Stack Overflow Detection and Stack Size Estimation for Low-End Multithreaded Operating Systems using Virtual Prototypes</em> which will be published as part of <a href="http://www.fdl-conference.org">FDL21</a>. The artifacts provided here use pre-compiled binaries and pre-generated stack usage databases. Based on these provided files, the stack size estimation and performance evaluation performed in the paper can be replicated. Various README.md files, which provide more information on individual artifacts, are also included.</p> <p>The software used in conjunction with these artifacts is also freely available on GitHub:</p> <ul> <li>https://github.com/agra-uni-bremen/fdl21-stackuse-vp</li> <li>https://github.com/agra-uni-bremen/stack-usage-db</li> </ul>

opencc-by-4.0Sep 2021View details →
zenodo36/100

On the relation between technical debt indicators and quality criteria in Stack Overflow discussions

<p>This is the replication package for the paper &quot;On the relation between technical debt indicators and quality criteria in Stack Overflow discussions&quot;. The paper was published on the Technical Research Track of the Bralizian Symposium on Software Engineering.This is the replication package for the paper &quot;On the relation between technical debt indicators and quality criteria in Stack Overflow discussions&quot;. The paper was published on the Technical Research Track of the Bralizian Symposium on Software Engineering.</p>

opencc-by-4.0Jul 2021View details →
zenodo36/100

Is reputation on Stack Overflow always a good indicator for users' expertise? No!

<p>Dataset for RQ1 and RQ2.&nbsp;</p>

opencc-by-4.0Aug 2021View details →
zenodo36/100

Stacking Sequence, Interlayer Bonding, Termination Group Stability and Li/Na/Mg diffusion in MXenes

<p>Input-files and structures.</p> <p>tree-structure of files:&nbsp;</p> <p>.<br> ├── h2_molecule_in_vacuum<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> ├── readme<br> ├── ti3c2t2<br> │ &nbsp; ├── octahedral<br> │ &nbsp; │ &nbsp; ├── 1x1_clcl<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── 1x1_ff<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── 1x1_fho<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── 1x1_fo<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── 1x1_ohho<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── 1x1_oho<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── 1x1_oo<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── neb_li_2_image<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── old_POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── old_POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── old_POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── old_POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; │ &nbsp; ├── neb_li_5_image<br> │ &nbsp; │ &nbsp; │ &nbsp; ├── neb.dat<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── old_POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── fe.dat<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── old_POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── fe.dat<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── old_POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── fe.dat<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── old_POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 04<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── fe.dat<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── old_POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 05<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── fe.dat<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── old_POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 06<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── old_POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; │ &nbsp; ├── neb_li_endpoint_2image<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── neb_li_endpoint_5image<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── neb_li_startpoint<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── neb_mg<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── fe.dat<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── fe.dat<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; │ &nbsp; ├── neb_mg_5_image<br> │ &nbsp; │ &nbsp; ├── neb_mg_endpoint<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── neb_mg_startpoint<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── neb_na<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 00<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 01<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 02<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── CONTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── 03<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; ├── OUTCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── POSCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── INCAR<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── KPOINTS<br> │ &nbsp; │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── neb.dat<br> │ &nbsp; │ &nbsp; ├── neb_na_endpoint<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── neb_na_startpoint<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── neb_template<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; └── site_test<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; ├── cmcm<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; ├── mtmt<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; └── tctc<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; ├── singlelayer<br> │ &nbsp; │ &nbsp; ├── sl_clcl<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── sl_ff<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── sl_fho<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── sl_fo<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── sl_ohho<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── sl_oho<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; └── sl_oo<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── output<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; └── trigonal<br> │ &nbsp; &nbsp; &nbsp; ├── 1x1_clcl<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; ├── 1x1_ff<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; ├── 1x1_fho<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; ├── 1x1_fo<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; ├── 1x1_ohho<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; ├── 1x1_oho<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; ├── 1x1_oo<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; ├── neb_li_2_image<br> │ &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; ├── 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; ├── neb_li_5_image<br> │ &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; ├── neb_li_endpoint_2image<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; ├── neb_li_endpoint_5image<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; ├── neb_li_startpoint<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; ├── neb_mg<br> │ &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; ├── 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; ├── neb_mg_5_image<br> │ &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; ├── neb_mg_endpoint<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; ├── neb_mg_startpoint<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; ├── neb_na<br> │ &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; ├── 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; ├── neb_na_endpoint<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; ├── neb_na_startpoint<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; └── neb_template<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> ├── v2ct2<br> │ &nbsp; ├── octahedral<br> │ &nbsp; │ &nbsp; ├── 1x1_clcl<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── 1x1_ff<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── 1x1_fho<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── 1x1_fo<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── 1x1_ohho<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── 1x1_oho<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; └── 1x1_oo<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── output<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; ├── singlelayer<br> │ &nbsp; │ &nbsp; ├── sl_clcl<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── sl_ff<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── sl_fho<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── sl_fo<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── sl_ohho<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── sl_oho<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; └── sl_oo<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── output<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; └── trigonal<br> │ &nbsp; &nbsp; &nbsp; ├── 1x1_clcl<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; ├── 1x1_ff<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; ├── 1x1_fho<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; ├── 1x1_fo<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; ├── 1x1_ohho<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; ├── 1x1_oho<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; └── 1x1_oo<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> ├── xrd_ti3c2t2<br> │ &nbsp; ├── octahedral<br> │ &nbsp; │ &nbsp; ├── 1x1_ff<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── 1x1_oo<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── mixed1<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── mixed2<br> │ &nbsp; │ &nbsp; │ &nbsp; └── output<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; └── mixed3<br> │ &nbsp; │ &nbsp; &nbsp; &nbsp; └── output<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; └── trigonal<br> │ &nbsp; &nbsp; &nbsp; ├── 1x1_ff<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; ├── 1x1_oo<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; ├── mixed1<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; ├── mixed2<br> │ &nbsp; &nbsp; &nbsp; │ &nbsp; └── output<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; └── mixed3<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> └── zr3c2t2<br> &nbsp; &nbsp; ├── octahedral<br> &nbsp; &nbsp; │ &nbsp; ├── 1x1_clcl<br> &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── 1x1_ff<br> &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── 1x1_fho<br> &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── 1x1_fo<br> &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── 1x1_ohho<br> &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── 1x1_oho<br> &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── output<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; └── 1x1_oo<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; ├── singlelayer<br> &nbsp; &nbsp; │ &nbsp; ├── sl_clcl<br> &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── sl_ff<br> &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── sl_fho<br> &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── sl_fo<br> &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── sl_ohho<br> &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── output<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; ├── sl_oho<br> &nbsp; &nbsp; │ &nbsp; │ &nbsp; └── output<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; └── sl_oo<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; └── trigonal<br> &nbsp; &nbsp; &nbsp; &nbsp; ├── 1x1_clcl<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_ff<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_fho<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_fo<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_ohho<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_oho<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_oo<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</p> <p>&nbsp;</p>

opencc-by-4.0Aug 2021View details →

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

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