# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/bf0ae8d5-71f5-410b-9e14-fc959994849c/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 Al2ZnS4 / Fd-3m (227) / materials id 4842](https://mdr.nims.go.jp/datasets/a5888420-4b50-4812-a24e-e3abbfa704d1)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Al 04Jan2001PAW_PBE S 06Sep2000PAW_PBE Zn 06Sep2000vasp-settings/kpoints-mesh-relax2 2 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 359.7399GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-4842vasp-settings/kpoints-mesh-nac3 3 3vasp-settings/kpoints-mesh-force2 2 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 359.7399GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 359.7399GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01