# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/8a2a1789-9e3c-4189-86d9-9bf8ccded1b6/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 Ba2V(CuS2)3 / C2/c (15) / materials id 560493](https://mdr.nims.go.jp/datasets/0ffe6e04-2469-4d97-8db2-8d4b03965cef)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Ba_sv 06Sep2000PAW_PBE V_pv 07Sep2000PAW_PBE Cu_pv 06Sep2000PAW_PBE S 06Sep2000vasp-settings/kpoints-mesh-relax2 2 3vasp-settings/INCAR-relaxEDIFF = 1e-08EDIFFG = -1e-08ENCUT = 479.2424GGA = PSIALGO = 38IBRION = 2ISIF = 3ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4NSW = 10PREC = AccurateSIGMA = 0.01SYSTEM = mp-560493vasp-settings/kpoints-mesh-nac3 3 3vasp-settings/kpoints-mesh-force2 1 3vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 479.2424GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 479.2424GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01