# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/9bf87f3f-d017-478f-bb73-658ca9af86bb/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 Ba3(SnAs2)2 / P2_1/c (14) / materials id 17470](https://mdr.nims.go.jp/datasets/a976e640-3cb1-46f9-8652-1d7ebf6f981f)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE As_d 11Apr2003PAW_PBE Sn_d 06Sep2000PAW_PBE Ba_sv 06Sep2000vasp-settings/kpoints-mesh-relax3 1 3vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 375.2463GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-17470vasp-settings/kpoints-mesh-nac3 1 3vasp-settings/kpoints-mesh-force1 1 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 375.2463GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 375.2463GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01