# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/70fb76a9-1325-46f2-80ca-4b946d068e3d/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 Sr(Li2P)2 / R-3m (166) / materials id 570097](https://mdr.nims.go.jp/datasets/ef1c0ded-717a-4546-831d-2e078f36ebb9)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Sr_sv 07Sep2000PAW_PBE Li_sv 10Sep2004PAW_PBE P 06Sep2000vasp-settings/kpoints-mesh-relax5 5 1vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 648.7442GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-570097vasp-settings/kpoints-mesh-nac5 5 5vasp-settings/kpoints-mesh-force3 3 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 648.7442GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 648.7442GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01