# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/0418acdd-e0a8-4b45-90e3-4962fb44a7cb/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 BaTm2F8 / C2/m (12) / materials id 7693](https://mdr.nims.go.jp/datasets/e1c6ccf7-c956-4501-af9f-ad554d09c9d0)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE F 08Apr2002PAW_PBE Ba_sv 06Sep2000PAW_PBE Tm_3 20Jan2003vasp-settings/kpoints-mesh-relax3 2 5vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-7693vasp-settings/kpoints-mesh-nac4 4 5vasp-settings/kpoints-mesh-force1 2 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01