# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/4047d3c9-07fe-4ab5-9bda-e56d3455129a/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 Ba11(CdSb2)6 / C2/m (12) / materials id 570121](https://mdr.nims.go.jp/datasets/76884a6c-6d4b-4d79-b8ff-3b52220bc89d)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Ba_sv 06Sep2000PAW_PBE Cd 06Sep2000PAW_PBE Sb 06Sep2000vasp-settings/kpoints-mesh-relax1 4 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 356.6368GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-570121vasp-settings/kpoints-mesh-nac4 4 2vasp-settings/kpoints-mesh-force1 2 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 356.6368GGA = PSIALGO = 38IBRION = -1ISMEAR = 0KPAR = 16LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 356.6368GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01