# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/de1793b1-cd18-492c-92a5-f3d0d72798a5/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 Na5HfAs3 / P2_1/c (14) / materials id 541236](https://mdr.nims.go.jp/datasets/a554d243-9a60-43aa-b4b1-b03d3f2c4d17)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Hf_pv 06Sep2000PAW_PBE As_d 11Apr2003PAW_PBE Na_pv 19Sep2006vasp-settings/kpoints-mesh-relax3 3 1vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 375.2463GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-541236vasp-settings/kpoints-mesh-nac3 3 1vasp-settings/kpoints-mesh-force1 1 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 375.2463GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 375.2463GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01