# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/f38d4f16-c785-4e1d-a4f8-dbe378768295/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 K2VAgS4 / Fddd (70) / materials id 8900](https://mdr.nims.go.jp/datasets/6b960a7b-332e-460d-b64b-de94d83f531f)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     1 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  64</c><c>S </c><c>     32.06600000</c><c>      6.00000000</c><c>  PAW_PBE S 06Sep2000                   </c></rc>    <rc><c>  32</c><c>K </c><c>     39.09800000</c><c>      7.00000000</c><c>  PAW_PBE K_pv 17Jan2003                </c></rc>    <rc><c>  16</c><c>V </c><c>     50.94100000</c><c>     11.00000000</c><c>  PAW_PBE V_pv 07Sep2000                </c></rc>    <rc><c>  16</c><c>Ag</c><c>    107.86800000</c><c>     17.00000000</c><c>  PAW_PBE Ag_pv 09Dec2005               </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 K V Ag   1.0     5.6877628700000002    0.0000000000000000    0.0000000000000000     0.0000000000000000   12.8432187700000000    0.0000000000000000     0.0000000000000000    0.0000000000000000   22.1058325599999996 S K V Ag  32  16   8   8Direct   0.2070392600000000  0.8986189800000000  0.0577632700000000   0.7929607400000001  0.8986189800000000  0.9422367300000000   0.2070392600000000  0.1013810200000000  0.9422367300000000   0.7929607400000001  0.1013810200000000  0.0577632700000000   0.0429607400000000  0.8513810200000000  0.6922367300000001   0.0429607400000000  0.6486189800000000  0.8077632700000000   0.4570392600000000  0.8513810200000000  0.8077632700000000   0.4570392600000000  0.6486189800000000  0.6922367300000001   0.2070392600000000  0.3986189800000000  0.5577632699999999   0.7929607400000001  0.3986189800000000  0.4422367300000000   0.2070392600000000  0.6013810200000000  0.4422367300000000   0.7929607400000001  0.6013810200000000  0.5577632699999999   0.0429607400000000  0.3513810200000000  0.1922367300000000   0.0429607400000000  0.1486189800000000  0.3077632700000000   0.4570392600000000  0.3513810200000000  0.3077632700000000   0.4570392600000000  0.1486189800000000  0.1922367300000000   0.7070392599999999  0.8986189800000000  0.5577632699999999   0.2929607400000000  0.8986189800000000  0.4422367300000000   0.7070392599999999  0.1013810200000000  0.4422367300000000   0.2929607400000000  0.1013810200000000  0.5577632699999999   0.5429607400000001  0.8513810200000000  0.1922367300000000   0.5429607400000001  0.6486189800000000  0.3077632700000000   0.9570392599999999  0.8513810200000000  0.3077632700000000   0.9570392599999999  0.6486189800000000  0.1922367300000000   0.7070392599999999  0.3986189800000000  0.0577632700000000   0.2929607400000000  0.3986189800000000  0.9422367300000000   0.7070392599999999  0.6013810200000000  0.9422367300000000   0.2929607400000000  0.6013810200000000  0.0577632700000000   0.5429607400000001  0.3513810200000000  0.6922367300000001   0.5429607400000001  0.1486189800000000  0.8077632700000000   0.9570392599999999  0.3513810200000000  0.8077632700000000   0.9570392599999999  0.1486189800000000  0.6922367300000001   0.7500000000000000  0.7500000000000000  0.0687739700000000   0.5000000000000000  0.0000000000000000  0.6812260299999999   0.2500000000000000  0.7500000000000000  0.9312260300000000   0.0000000000000000  0.0000000000000000  0.8187739700000000   0.7500000000000000  0.2500000000000000  0.5687739700000001   0.5000000000000000  0.5000000000000000  0.1812260300000000   0.2500000000000000  0.2500000000000000  0.4312260300000000   0.0000000000000000  0.5000000000000000  0.3187739700000000   0.2500000000000000  0.7500000000000000  0.5687739700000001   0.0000000000000000  0.0000000000000000  0.1812260300000000   0.7500000000000000  0.7500000000000000  0.4312260300000000   0.5000000000000000  0.0000000000000000  0.3187739700000000   0.2500000000000000  0.2500000000000000  0.0687739700000000   0.0000000000000000  0.5000000000000000  0.6812260299999999   0.7500000000000000  0.2500000000000000  0.9312260300000000   0.5000000000000000  0.5000000000000000  0.8187739700000000   0.0000000000000000  0.0000000000000000  0.0000000000000000   0.2500000000000000  0.7500000000000000  0.7500000000000000   0.0000000000000000  0.5000000000000000  0.5000000000000000   0.2500000000000000  0.2500000000000000  0.2500000000000000   0.5000000000000000  0.0000000000000000  0.5000000000000000   0.7500000000000000  0.7500000000000000  0.2500000000000000   0.5000000000000000  0.5000000000000000  0.0000000000000000   0.7500000000000000  0.2500000000000000  0.7500000000000000   0.5000000000000000  0.0000000000000000  0.0000000000000000   0.7500000000000000  0.7500000000000000  0.7500000000000000   0.5000000000000000  0.5000000000000000  0.5000000000000000   0.7500000000000000  0.2500000000000000  0.2500000000000000   0.0000000000000000  0.0000000000000000  0.5000000000000000   0.2500000000000000  0.7500000000000000  0.2500000000000000   0.0000000000000000  0.5000000000000000  0.0000000000000000   0.2500000000000000  0.2500000000000000  0.7500000000000000vasp-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     1 0.000 0.000 0.000