# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/a8eb7cf2-4d2d-496d-88e2-add92cc7703f/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 Sr(MgAs)2 / P-3m1 (164) / materials id 867194](https://mdr.nims.go.jp/datasets/1dbad24e-13a0-4610-8b3c-5c5bfea17804)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Sr_sv 07Sep2000PAW_PBE Mg_pv 13Apr2007PAW_PBE As_d 11Apr2003vasp-settings/kpoints-mesh-relax5 5 3vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 525.1077GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 8PREC = AccurateSIGMA = 0.01SYSTEM = mp-867194vasp-settings/kpoints-mesh-nac5 5 3vasp-settings/kpoints-mesh-force2 2 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 525.1077GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 525.1077GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01