# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/f7741b4d-74b8-45dc-aff6-6bb0980335a3/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 Ba(YTe2)2 / Pnma (62) / materials id 17872](https://mdr.nims.go.jp/datasets/e0ee52a7-6d4f-4098-a1af-9a948980d42e)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Y_sv 25May2007PAW_PBE Te 08Apr2002PAW_PBE Ba_sv 06Sep2000vasp-settings/kpoints-mesh-relax1 5 1vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 263.4138GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-17872vasp-settings/kpoints-mesh-nac1 5 1vasp-settings/kpoints-mesh-force1 1 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 263.4138GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 263.4138GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01