# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/da2fb759-e2df-417a-ba98-d4581405e569/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 AgSbS2 / C2/c (15) / materials id 3922](https://mdr.nims.go.jp/datasets/14be9612-a71e-40b6-ad89-8ceb1556ba9b)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  48</c><c>S </c><c>     32.06600000</c><c>      6.00000000</c><c>  PAW_PBE S 06Sep2000                   </c></rc>    <rc><c>  24</c><c>Ag</c><c>    107.86800000</c><c>     17.00000000</c><c>  PAW_PBE Ag_pv 09Dec2005               </c></rc>    <rc><c>  24</c><c>Sb</c><c>    121.75000000</c><c>      5.00000000</c><c>  PAW_PBE Sb 06Sep2000                  </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 387.224500     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 Ag Sb   1.0    12.7117067000000006    0.0000000000000000   -0.1318124300000000     0.0000000000000000    4.3023812000000001    0.0000000000000000    -2.1515827000000001    0.0000000000000000   12.8861164699999993 S Ag Sb  16   8   8Direct   0.1118826500000000  0.8215831099999999  0.9184665000000000   0.3881173500000000  0.3215831100000000  0.5815334999999999   0.3881173500000000  0.6784168900000001  0.0815335000000000   0.1118826500000000  0.1784168900000000  0.4184665000000000   0.1405968600000000  0.6452621900000000  0.1966674600000000   0.1405968600000000  0.3547378100000000  0.6966674600000000   0.3594031400000000  0.8547378100000000  0.8033325400000000   0.3594031400000000  0.1452621900000000  0.3033325400000000   0.6118826500000000  0.3215831100000000  0.9184665000000000   0.8881173500000000  0.8215831099999999  0.5815334999999999   0.8881173500000000  0.1784168900000000  0.0815335000000000   0.6118826500000000  0.6784168900000001  0.4184665000000000   0.6405968600000000  0.1452621900000000  0.1966674600000000   0.6405968600000000  0.8547378100000000  0.6966674600000000   0.8594031400000000  0.3547378100000000  0.8033325400000000   0.8594031400000000  0.6452621900000000  0.3033325400000000   0.0000000000000000  0.5000000000000000  0.0000000000000000   0.0000000000000000  0.9851666000000000  0.7500000000000000   0.0000000000000000  0.5000000000000000  0.5000000000000000   0.0000000000000000  0.0148334000000000  0.2500000000000000   0.5000000000000000  0.0000000000000000  0.0000000000000000   0.5000000000000000  0.4851666000000000  0.7500000000000000   0.5000000000000000  0.0000000000000000  0.5000000000000000   0.5000000000000000  0.5148334000000000  0.2500000000000000   0.2493185400000000  0.9482911600000000  0.6217131700000000   0.2506814600000000  0.4482911600000000  0.8782868300000000   0.2506814600000000  0.5517088400000000  0.3782868300000000   0.2493185400000000  0.0517088400000000  0.1217131700000000   0.7493185400000000  0.4482911600000000  0.6217131700000000   0.7506814600000000  0.9482911600000000  0.8782868300000000   0.7506814600000000  0.0517088400000000  0.3782868300000000   0.7493185400000000  0.5517088400000000  0.1217131700000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 387.224500     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     2     4     2 0.000 0.000 0.000