# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/8ecda65a-9b03-4475-af60-1bc04e2f083c/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 Mg3As2 / Ia-3 (206) / materials id 1990](https://mdr.nims.go.jp/datasets/9943c614-de7e-4125-84cc-c01cd048719a)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Mg_pv 13Apr2007PAW_PBE As_d 11Apr2003vasp-settings/kpoints-mesh-relax2 2 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 525.1077GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-1990vasp-settings/kpoints-mesh-nac2 2 2vasp-settings/kpoints-mesh-force2 2 2vasp-settings/INCAR-nacALGO = AllEDIFF = 1e-08ENCUT = 525.1077GGA = PSIBRION = -1ISEARCH = 1ISMEAR = 0KPAR = 4LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 300NELMIN = 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