# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/1bdb4047-692a-44dd-8a48-b6ad7568e14d/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 Ta3Br7 / Cmce (64) / materials id 29412](https://mdr.nims.go.jp/datasets/898266d0-f5a7-4646-a437-169fe2f3646a)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Br 06Sep2000PAW_PBE Ta_pv 07Sep2000vasp-settings/kpoints-mesh-relax1 1 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 290.7671GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-29412vasp-settings/kpoints-mesh-nac2 2 2vasp-settings/kpoints-mesh-force1 1 2vasp-settings/INCAR-nacALGO = AllEDIFF = 1e-08ENCUT = 290.7671GGA = 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 = 290.7671GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01