# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/054913b0-bd8a-4745-af69-96607a6ab22c/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 NaLuS2 / R-3m (166) / materials id 9035](https://mdr.nims.go.jp/datasets/a5ab2f61-543d-46a0-92aa-a9c01fcfb504)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Na_pv 19Sep2006PAW_PBE S 06Sep2000PAW_PBE Lu_3 06Sep2000vasp-settings/kpoints-mesh-relax6 6 1vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 337.4293GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-9035vasp-settings/kpoints-mesh-nac6 6 6vasp-settings/kpoints-mesh-force2 2 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 337.4293GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 337.4293GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01