# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/e174b7dd-58a8-4622-a656-34b0f17e29af/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 Mg2FeH6 / Fm-3m (225) / materials id 23804](https://mdr.nims.go.jp/datasets/b10cbba2-5a04-435f-b494-c4c2a4d16697)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE H 15Jun2001PAW_PBE Mg_pv 13Apr2007PAW_PBE Fe_pv 02Aug2007vasp-settings/kpoints-mesh-relax3 3 3vasp-settings/INCAR-relaxEDIFF = 1e-08EDIFFG = -1e-08ENCUT = 525.1077GGA = PSIALGO = 38IBRION = 2ISIF = 3ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4NSW = 10PREC = AccurateSIGMA = 0.01SYSTEM = mp-23804vasp-settings/kpoints-mesh-nac5 5 5vasp-settings/kpoints-mesh-force3 3 3vasp-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