# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/2647f99c-9dbd-49c2-aa32-f5df7f6e7657/download)

## Creator

[Atsushi Togo](https://orcid.org/0000-0001-8393-9766)

## Rights

Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/)

## Other metadata

[Ab-initio phonon calculation for La3InS6 / P2_12_12 (18) / materials id 540877](https://mdr.nims.go.jp/datasets/25a41a53-9d73-4fd4-b940-52ced5fc16dc)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  36</c><c>La</c><c>    138.90000000</c><c>     11.00000000</c><c>  PAW_PBE La 06Sep2000                  </c></rc>    <rc><c>  12</c><c>In</c><c>    114.82000000</c><c>     13.00000000</c><c>  PAW_PBE In_d 06Sep2000                </c></rc>    <rc><c>  72</c><c>S </c><c>     32.06600000</c><c>      6.00000000</c><c>  PAW_PBE S 06Sep2000                   </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 336.295700     EDIFF = 1.000000e-08    EDIFFG = -1.000000e-08    ISMEAR = 0     SIGMA = 1.000000e-02     IALGO = 38     LREAL = .FALSE.   ADDGRID = .TRUE.     LWAVE = .FALSE.    LCHARG = .FALSE.      NPAR = 4vasp-settings/POSCAR-unitcell La In S   1.0    13.8235354299999997    0.0000000000000000    0.0000000000000000     0.0000000000000000   16.6985272299999998    0.0000000000000000     0.0000000000000000    0.0000000000000000    4.0090971800000004 La In S  12   4  24Direct   0.5443270700000000  0.7206438900000001  0.7499465599999999   0.4556729300000000  0.2793561100000000  0.7499465599999999   0.0443270700000000  0.7793561099999999  0.2500534400000000   0.9556729300000000  0.2206438900000000  0.2500534400000000   0.7555314600000000  0.8947970000000000  0.7499505900000000   0.2444685400000000  0.1052030000000000  0.7499505900000000   0.2555314600000000  0.6052029999999999  0.2500494100000000   0.7444685400000000  0.3947970000000000  0.2500494100000000   0.8153409000000000  0.6456838200000000  0.2500293200000000   0.1846591000000000  0.3543161800000000  0.2500293200000000   0.3153409000000000  0.8543161800000000  0.7499706800000000   0.6846591000000000  0.1456838200000000  0.7499706800000000   0.5000000000000000  0.0000000000000000  0.2500188200000000   0.0000000000000000  0.5000000000000000  0.7499811800000000   0.0000000000000000  0.0000000000000000  0.7495828400000000   0.5000000000000000  0.5000000000000000  0.2504171600000000   0.9081646500000000  0.9185520400000000  0.2499204600000000   0.0918353500000000  0.0814479600000000  0.2499204600000000   0.4081646500000000  0.5814479600000000  0.7500795400000000   0.5918353500000000  0.4185520400000000  0.7500795400000000   0.8120790300000000  0.5190755300000001  0.7500273600000000   0.1879209700000000  0.4809244700000000  0.7500273600000000   0.3120790300000000  0.9809244700000000  0.2499726400000000   0.6879209700000000  0.0190755300000000  0.2499726400000000   0.6161967900000000  0.6108245400000001  0.2499395300000000   0.3838032100000000  0.3891754600000000  0.2499395300000000   0.1161967900000000  0.8891754600000000  0.7500604700000000   0.8838032100000000  0.1108245400000000  0.7500604700000000   0.6833267199999999  0.7865333300000000  0.2499585300000000   0.3166732800000000  0.2134666700000000  0.2499585300000000   0.1833267200000000  0.7134666700000001  0.7500414700000000   0.8166732800000001  0.2865333300000000  0.7500414700000000   0.8930901600000000  0.7484320300000000  0.7500209200000000   0.1069098400000000  0.2515679700000000  0.7500209200000000   0.3930901600000000  0.7515679700000000  0.2499790800000000   0.6069098399999999  0.2484320300000000  0.2499790800000000   0.5245592299999999  0.8973655400000000  0.7500012899999999   0.4754407700000000  0.1026344600000000  0.7500012899999999   0.0245592300000000  0.6026344600000000  0.2499987100000000   0.9754407700000000  0.3973655400000000  0.2499987100000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 336.295700     EDIFF = 1.000000e-08    ISMEAR = 0     SIGMA = 1.000000e-02     IALGO = 38     LREAL = .FALSE.   ADDGRID = .TRUE.     LWAVE = .FALSE.    LCHARG = .FALSE.      NPAR = 4vasp-settings/KPOINTS-relaxAutomatic mesh0Gamma     1     1     5 0.000 0.000 0.000