# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/c78a4800-9856-4b51-b3c3-8b44405e13ec/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 Sr2H6Ru / Fm-3m (225) / materials id 24292](https://mdr.nims.go.jp/datasets/71fc5ba8-5a71-4c5b-908e-c7a1a511e2cd)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Sr_sv 07Sep2000PAW_PBE H 15Jun2001PAW_PBE Ru_pv 28Jan2005vasp-settings/kpoints-mesh-relax3 3 3vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 325.0GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-24292vasp-settings/kpoints-mesh-nac5 5 5vasp-settings/kpoints-mesh-force3 3 3vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 325.0GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 325.0GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01