# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/b82846ef-56f2-4c95-99e8-fd012c9f5b3d/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 NaAg3S2 / Fd-3m (227) / materials id 16992](https://mdr.nims.go.jp/datasets/9732e7e4-fdc9-4730-801f-af218efcc5f4)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     2     2     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  16</c><c>Na</c><c>     22.99000000</c><c>      7.00000000</c><c>  PAW_PBE Na_pv 19Sep2006               </c></rc>    <rc><c>  32</c><c>S </c><c>     32.06600000</c><c>      6.00000000</c><c>  PAW_PBE S 06Sep2000                   </c></rc>    <rc><c>  48</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 Na S Ag   1.0    12.1721516899999997    0.0000000000000000    0.0000000000000000     0.0000000000000000   12.1721516899999997    0.0000000000000000     0.0000000000000000    0.0000000000000000   12.1721516899999997 Na S Ag  16  32  48Direct   0.1250000000000000  0.8750000000000000  0.3750000000000000   0.1250000000000000  0.6250000000000000  0.1250000000000000   0.8750000000000000  0.3750000000000000  0.1250000000000000   0.3750000000000000  0.6250000000000000  0.3750000000000000   0.1250000000000000  0.3750000000000000  0.8750000000000000   0.1250000000000000  0.1250000000000000  0.6250000000000000   0.8750000000000000  0.8750000000000000  0.6250000000000000   0.3750000000000000  0.1250000000000000  0.8750000000000000   0.6250000000000000  0.8750000000000000  0.8750000000000000   0.6250000000000000  0.6250000000000000  0.6250000000000000   0.3750000000000000  0.3750000000000000  0.6250000000000000   0.8750000000000000  0.6250000000000000  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0.1730958400000000  0.5000000000000000   0.0000000000000000  0.3269041600000000  0.5000000000000000   0.4230958400000000  0.2500000000000000  0.2500000000000000vasp-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     2     2 0.000 0.000 0.000