# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/abb589db-61fc-4a58-9d0f-cdfd282e169e/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 Rb2TaAgS4 / Fddd (70) / materials id 15217](https://mdr.nims.go.jp/datasets/c9de72af-9886-48e4-aa1f-b5a37a5f85c4)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE S 06Sep2000PAW_PBE Rb_pv 06Sep2000PAW_PBE Ag_pv 09Dec2005PAW_PBE Ta_pv 07Sep2000vasp-settings/kpoints-mesh-relax3 1 1vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 387.2245GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-15217vasp-settings/kpoints-mesh-nac4 4 4vasp-settings/kpoints-mesh-force2 1 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 387.2245GGA = 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 = 387.2245GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01