# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/e76df0cf-c695-4f59-b226-1eab9f2b7080/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 ScAgO2 / R-3m (166) / materials id 973185](https://mdr.nims.go.jp/datasets/b92b3884-e04d-4729-ab77-8aa6f7c21506)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Sc_sv 07Sep2000PAW_PBE Ag_pv 09Dec2005PAW_PBE O 08Apr2002vasp-settings/kpoints-mesh-relax7 7 1vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-973185vasp-settings/kpoints-mesh-nac7 7 7vasp-settings/kpoints-mesh-force2 2 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01