# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/1f833c58-2b1c-42a0-a073-53c9e3bee59a/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 Mg17(As3O16)2 / P2/m (10) / materials id 757303](https://mdr.nims.go.jp/datasets/da77bd06-496e-4378-9232-90b577629c15)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Mg_pv 13Apr2007PAW_PBE As_d 11Apr2003PAW_PBE O 08Apr2002vasp-settings/kpoints-mesh-relax2 3 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 525.1077GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-757303vasp-settings/kpoints-mesh-nac2 3 2vasp-settings/kpoints-mesh-force2 2 2vasp-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