# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/fcae0d31-f07d-4e49-a4db-19509c1e07d3/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

[First-principles lattice thermal conductivity calculation for YAg3(PS4)2 / C2/c (15) / materials id 561467](https://mdr.nims.go.jp/datasets/ee822240-c5db-4279-bf3a-015b87b50cc9)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Y_sv 25May2007PAW_PBE Ag_pv 09Dec2005PAW_PBE P 06Sep2000PAW_PBE S 06Sep2000vasp-settings/kpoints-mesh-relax1 2 3vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 387.2245GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-561467vasp-settings/kpoints-mesh-nac3 3 3vasp-settings/kpoints-mesh-force1 1 3vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 387.2245GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 387.2245GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01