# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/f132ed44-86e3-41bc-a55d-30a3dbc19636/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 Sr4Li(BN2)3 / Im-3m (229) / materials id 9723](https://mdr.nims.go.jp/datasets/fa0b6f26-2dc7-49ae-9c96-0eb9a340d6b7)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Li_sv 10Sep2004PAW_PBE B 06Sep2000PAW_PBE N 08Apr2002PAW_PBE Sr_sv 07Sep2000vasp-settings/kpoints-mesh-relax3 3 3vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 648.7442GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-9723vasp-settings/kpoints-mesh-nac4 4 4vasp-settings/kpoints-mesh-force3 3 3vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 648.7442GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 648.7442GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01