# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/67ec3e7e-e64e-4b5c-93d0-9d490d41ed67/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 Sr3MgPtO6 / R-3c (167) / materials id 6064](https://mdr.nims.go.jp/datasets/6380df51-ecca-4069-86ad-8aaa6d7cb7bd)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE O 08Apr2002PAW_PBE Mg_pv 13Apr2007PAW_PBE Sr_sv 07Sep2000PAW_PBE Pt 04Feb2005vasp-settings/kpoints-mesh-relax2 2 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 525.1077GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-6064vasp-settings/kpoints-mesh-nac3 3 3vasp-settings/kpoints-mesh-force2 2 2vasp-settings/INCAR-nacALGO = AllEDIFF = 1e-08ENCUT = 525.1077GGA = PSIBRION = -1ISEARCH = 1ISMEAR = 0KPAR = 2LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 300NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 525.1077GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01