# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/0ea774f2-4d3c-45c1-b3b6-0b5f524a5504/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 Ba2YBr7 / P2_1/c (14) / materials id 752620](https://mdr.nims.go.jp/datasets/3ebd28eb-f298-4e84-b1a4-c0208ea3d5ac)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Ba_sv 06Sep2000PAW_PBE Y_sv 25May2007PAW_PBE Br 06Sep2000vasp-settings/kpoints-mesh-relax3 1 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 281.1705GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-752620vasp-settings/kpoints-mesh-nac3 1 2vasp-settings/kpoints-mesh-force1 1 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 281.1705GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 281.1705GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01