# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/b12fad1e-ae53-4ed1-9cdd-326062bb3672/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 LaAgO2 / P6_3/mmc (194) / materials id 754535](https://mdr.nims.go.jp/datasets/cc0decf0-712f-4df6-878c-b109226d40ed)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE La 06Sep2000PAW_PBE Ag_pv 09Dec2005PAW_PBE O 08Apr2002vasp-settings/kpoints-mesh-relax6 6 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-754535vasp-settings/kpoints-mesh-nac6 6 2vasp-settings/kpoints-mesh-force2 2 2vasp-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