# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/bd680ff1-ef23-4238-9dc8-3bc717117ee1/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 Ba4TiAs4 / P-43n (218) / materials id 15503](https://mdr.nims.go.jp/datasets/86ad7a38-1b61-4ecd-ba6c-7754e9d6097b)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Ti_pv 07Sep2000PAW_PBE As_d 11Apr2003PAW_PBE Ba_sv 06Sep2000vasp-settings/kpoints-mesh-relax1 1 1vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 375.2463GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-15503vasp-settings/kpoints-mesh-nac1 1 1vasp-settings/kpoints-mesh-force1 1 1vasp-settings/INCAR-nacALGO = AllEDIFF = 1e-08ENCUT = 375.2463GGA = PSIBRION = -1ISEARCH = 1ISMEAR = 0KPAR = 4LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 300NELMIN = 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