# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/63d707a0-caf6-4459-9ead-6433d2c5d407/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 Mg3P2(HO)16 / C2/m (12) / materials id 24638](https://mdr.nims.go.jp/datasets/0ab2b055-766c-449f-95c9-0bb5c2d56b50)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE H 15Jun2001PAW_PBE O 08Apr2002PAW_PBE Mg_pv 13Apr2007PAW_PBE P 06Sep2000vasp-settings/kpoints-mesh-relax2 2 4vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 525.1077GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-24638vasp-settings/kpoints-mesh-nac3 3 4vasp-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