# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/d66860f6-a4e6-42f0-8a2a-7d8ed3a8f1ae/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 Rb4SnS4 / P-43n (218) / materials id 30230](https://mdr.nims.go.jp/datasets/d48d97d4-1d6b-4f07-83df-3aa4cfb68376)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  32</c><c>S </c><c>     32.06600000</c><c>      6.00000000</c><c>  PAW_PBE S 06Sep2000                   </c></rc>    <rc><c>  32</c><c>Rb</c><c>     85.46800000</c><c>      7.00000000</c><c>  PAW_PBE Rb_pv 06Sep2000               </c></rc>    <rc><c>   8</c><c>Sn</c><c>    118.71000000</c><c>     14.00000000</c><c>  PAW_PBE Sn_d 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 S Rb Sn   1.0    13.4604439399999993    0.0000000000000000    0.0000000000000000     0.0000000000000000   13.4604439399999993    0.0000000000000000     0.0000000000000000    0.0000000000000000   13.4604439399999993 S Rb Sn  32  32   8Direct   0.6529581400000000  0.9006158100000000  0.6117733800000000   0.6529581400000000  0.0993841900000000  0.3882266200000000   0.9006158100000000  0.6117733800000000  0.6529581400000000   0.0993841900000000  0.6117733800000000  0.3470418600000000   0.6117733800000000  0.6529581400000000  0.9006158100000000   0.3882266200000000  0.3470418600000000  0.9006158100000000   0.8470418600000000  0.8882266200000000  0.4006158100000000   0.8470418600000000  0.1117733800000000  0.5993841900000000   0.1529581400000000  0.8882266200000000  0.5993841900000000   0.1117733800000000  0.5993841900000000  0.8470418600000000   0.5993841900000000  0.1529581400000000  0.8882266200000000   0.5993841900000000  0.8470418600000000  0.1117733800000000   0.8882266200000000  0.4006158100000000  0.8470418600000000   0.4006158100000000  0.8470418600000000  0.8882266200000000   0.8882266200000000  0.5993841900000000  0.1529581400000000   0.1117733800000000  0.4006158100000000  0.1529581400000000   0.4006158100000000  0.1529581400000000  0.1117733800000000   0.3882266200000000  0.6529581400000000  0.0993841900000000   0.6117733800000000  0.3470418600000000  0.0993841900000000   0.9006158100000000  0.3882266200000000  0.3470418600000000   0.0993841900000000  0.3882266200000000  0.6529581400000000   0.3470418600000000  0.0993841900000000  0.6117733800000000   0.3470418600000000  0.9006158100000000  0.3882266200000000   0.1529581400000000  0.1117733800000000  0.4006158100000000   0.8972866700000000  0.8972866700000000  0.8972866700000000   0.6027133300000000  0.3972866700000000  0.6027133300000000   0.3972866700000000  0.6027133300000000  0.6027133300000000   0.6027133300000000  0.6027133300000000  0.3972866700000000   0.8972866700000000  0.1027133300000000  0.1027133300000000   0.1027133300000000  0.1027133300000000  0.8972866700000000   0.1027133300000000  0.8972866700000000  0.1027133300000000   0.3972866700000000  0.3972866700000000  0.3972866700000000   0.9151579200000000  0.8630143100000001  0.6521944600000000   0.9151579200000000  0.1369856900000000  0.3478055400000000   0.8630143100000001  0.6521944600000000  0.9151579200000000   0.1369856900000000  0.6521944600000000  0.0848420800000000   0.6521944600000000  0.9151579200000000  0.8630143100000001   0.3478055400000000  0.0848420800000000  0.8630143100000001   0.5848420800000000  0.8478055400000000  0.3630143100000000   0.5848420800000000  0.1521944600000000  0.6369856899999999   0.4151579200000000  0.8478055400000000  0.6369856899999999   0.1521944600000000  0.6369856899999999  0.5848420800000000   0.6369856899999999  0.4151579200000000  0.8478055400000000   0.6369856899999999  0.5848420800000000  0.1521944600000000   0.8478055400000000  0.3630143100000000  0.5848420800000000   0.3630143100000000  0.5848420800000000  0.8478055400000000   0.8478055400000000  0.6369856899999999  0.4151579200000000   0.1521944600000000  0.3630143100000000  0.4151579200000000   0.3630143100000000  0.4151579200000000  0.1521944600000000   0.3478055400000000  0.9151579200000000  0.1369856900000000   0.6521944600000000  0.0848420800000000  0.1369856900000000   0.8630143100000001  0.3478055400000000  0.0848420800000000   0.1369856900000000  0.3478055400000000  0.9151579200000000   0.0848420800000000  0.1369856900000000  0.6521944600000000   0.0848420800000000  0.8630143100000001  0.3478055400000000   0.4151579200000000  0.1521944600000000  0.3630143100000000   0.1534148000000000  0.1534148000000000  0.1534148000000000   0.3465852000000000  0.6534148000000000  0.3465852000000000   0.6534148000000000  0.3465852000000000  0.3465852000000000   0.3465852000000000  0.3465852000000000  0.6534148000000000   0.1534148000000000  0.8465852000000000  0.8465852000000000   0.8465852000000000  0.8465852000000000  0.1534148000000000   0.8465852000000000  0.1534148000000000  0.8465852000000000   0.6534148000000000  0.6534148000000000  0.6534148000000000   0.7500000000000000  0.0000000000000000  0.5000000000000000   0.5000000000000000  0.7500000000000000  0.0000000000000000   0.5000000000000000  0.2500000000000000  0.0000000000000000   0.0000000000000000  0.5000000000000000  0.2500000000000000   0.0000000000000000  0.5000000000000000  0.7500000000000000   0.2500000000000000  0.0000000000000000  0.5000000000000000   0.5000000000000000  0.5000000000000000  0.5000000000000000   0.0000000000000000  0.0000000000000000  0.0000000000000000vasp-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     1 0.000 0.000 0.000