# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/c1516ec4-2ad4-4ea0-8797-1d5880863144/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 Li4TaN3 / Ibca (73) / materials id 30129](https://mdr.nims.go.jp/datasets/5a3994c4-9e45-42db-9f3e-7f90f129700e)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Ta_pv 07Sep2000PAW_PBE N 08Apr2002PAW_PBE Li_sv 10Sep2004vasp-settings/kpoints-mesh-relax4 2 1vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 648.7442GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-30129vasp-settings/kpoints-mesh-nac3 4 5vasp-settings/kpoints-mesh-force2 2 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 648.7442GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 648.7442GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01