# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/c78df1d7-4cb2-4fed-9cca-f7daeb58e02f/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 Na7Au5S6 / Pbcn (60) / materials id 28856](https://mdr.nims.go.jp/datasets/79419517-1be1-4bba-8ad3-a58bd9a8dd3e)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Na_pv 19Sep2006PAW_PBE S 06Sep2000PAW_PBE Au 04Oct2007vasp-settings/kpoints-mesh-relax2 3 1vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 337.4293GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-28856vasp-settings/kpoints-mesh-nac2 3 1vasp-settings/kpoints-mesh-force2 1 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 337.4293GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 337.4293GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01