# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/43dff1c4-2266-4ef1-9bdb-a9dbde83ad56/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 BeS / F-43m (216) / materials id 422](https://mdr.nims.go.jp/datasets/993d1467-37e3-4b89-be30-c09ce5283dbc)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Be 06Sep2000PAW_PBE S 06Sep2000vasp-settings/kpoints-mesh-relax4 4 4vasp-settings/INCAR-relaxEDIFF = 1e-08EDIFFG = -1e-08ENCUT = 336.2957GGA = PSIALGO = 38IBRION = 2ISIF = 3ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 8NSW = 9PREC = AccurateSIGMA = 0.01SYSTEM = mp-422vasp-settings/kpoints-mesh-nac7 7 7vasp-settings/kpoints-mesh-force2 2 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 336.2957GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 336.2957GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01