# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/41d76d3a-f591-4ea1-a7ef-60de459c86f1/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 K2Ag2GeS4 / Fddd (70) / materials id 558500](https://mdr.nims.go.jp/datasets/039b7348-e9dd-4de8-85a9-ebdbec61f91d)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE K_pv 17Jan2003PAW_PBE Ag_pv 09Dec2005PAW_PBE Ge_d 03Jul2007PAW_PBE S 06Sep2000vasp-settings/kpoints-mesh-relax3 2 1vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 403.3822GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-558500vasp-settings/kpoints-mesh-nac4 4 4vasp-settings/kpoints-mesh-force2 2 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 403.3822GGA = PSIALGO = 38IBRION = -1ISMEAR = 0KPAR = 8LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 403.3822GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01