# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/49823ece-29d1-49a1-8a77-39f68afd4116/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 Hf2P2O9 / C2/m (12) / materials id 555344](https://mdr.nims.go.jp/datasets/b7770a84-0b4b-4455-8c72-a1d80463f19f)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Hf_pv 06Sep2000PAW_PBE P 06Sep2000PAW_PBE O 08Apr2002vasp-settings/kpoints-mesh-relax2 3 3vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-555344vasp-settings/kpoints-mesh-nac4 4 3vasp-settings/kpoints-mesh-force2 2 3vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01