# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/63dd4523-8af6-4d03-9cbf-280a5dbee25e/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 HoHSe / P-6m2 (187) / materials id 24012](https://mdr.nims.go.jp/datasets/693162db-2074-483e-a7b7-25e09bf03403)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE H 15Jun2001PAW_PBE Se 06Sep2000PAW_PBE Ho_3 06Sep2000vasp-settings/kpoints-mesh-relax6 6 5vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 325.0GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-24012vasp-settings/kpoints-mesh-nac6 6 5vasp-settings/kpoints-mesh-force2 2 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 325.0GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 325.0GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01