# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/842601a6-f78c-4f90-a670-97911bca1972/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 Ag5SbS4 / Cmc2_1 (36) / materials id 4004](https://mdr.nims.go.jp/datasets/98534c84-31fc-4aa7-93ce-e815949a44f3)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     2     2 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>  40</c><c>Ag</c><c>    107.86800000</c><c>     17.00000000</c><c>  PAW_PBE Ag_pv 09Dec2005               </c></rc>    <rc><c>   8</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     7.6807244399999997    0.0000000000000000    0.0000000000000000     0.0000000000000000   12.2324958800000001    0.0000000000000000     0.0000000000000000    0.0000000000000000    8.3304648700000001 S Ag Sb  16  20   4Direct   0.7339163600000000  0.2338736200000000  0.7696895800000000   0.2660836400000000  0.7661263800000000  0.2696895800000000   0.5000000000000000  0.9857163000000000  0.7094472700000001   0.5000000000000000  0.0142837000000000  0.2094472700000000   0.5000000000000000  0.4667222400000000  0.5366414700000000   0.5000000000000000  0.5332777600000000  0.0366414700000000   0.2660836400000000  0.2338736200000000  0.7696895800000000   0.7339163600000000  0.7661263800000000  0.2696895800000000   0.2339163600000000  0.7338736200000000  0.7696895800000000   0.7660836400000000  0.2661263800000000  0.2696895800000000   0.0000000000000000  0.4857163000000000  0.7094472700000001   0.0000000000000000  0.5142837000000000  0.2094472700000000   0.0000000000000000  0.9667222400000000  0.5366414700000000   0.0000000000000000  0.0332777600000000  0.0366414700000000   0.7660836400000000  0.7338736200000000  0.7696895800000000   0.2339163600000000  0.2661263800000000  0.2696895800000000   0.1910563600000000  0.9336833200000000  0.8418786900000000   0.6835957300000000  0.8765542000000000  0.5148642000000000   0.6835957300000000  0.1234458000000000  0.0148642000000000   0.3164042700000000  0.8765542000000000  0.5148642000000000   0.8089436400000000  0.9336833200000000  0.8418786900000000   0.1910563600000000  0.0663166800000000  0.3418786900000000   0.5000000000000000  0.6569958100000000  0.6385333000000000   0.5000000000000000  0.3430041900000000  0.1385333000000000   0.3164042700000000  0.1234458000000000  0.0148642000000000   0.8089436400000000  0.0663166800000000  0.3418786900000000   0.6910563599999999  0.4336833200000000  0.8418786900000000   0.1835957300000000  0.3765542000000000  0.5148642000000000   0.1835957300000000  0.6234458000000000  0.0148642000000000   0.8164042700000000  0.3765542000000000  0.5148642000000000   0.3089436400000000  0.4336833200000000  0.8418786900000000   0.6910563599999999  0.5663166800000000  0.3418786900000000   0.0000000000000000  0.1569958100000000  0.6385333000000000   0.0000000000000000  0.8430041900000000  0.1385333000000000   0.8164042700000000  0.6234458000000000  0.0148642000000000   0.3089436400000000  0.5663166800000000  0.3418786900000000   0.5000000000000000  0.1709596800000000  0.5880130100000001   0.5000000000000000  0.8290403200000001  0.0880130100000000   0.0000000000000000  0.6709596799999999  0.5880130100000001   0.0000000000000000  0.3290403200000000  0.0880130100000000vasp-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     3     2     2 0.000 0.000 0.000