# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/d78f6541-9b3d-4596-9a2a-d3bc13f37157/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 BeH2 / Ibam (72) / materials id 768203](https://mdr.nims.go.jp/datasets/a21fecc2-48f5-43df-a2c3-7e77245194d0)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Be 06Sep2000PAW_PBE H 15Jun2001vasp-settings/kpoints-mesh-relax5 2 3vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 325.0GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-768203vasp-settings/kpoints-mesh-nac4 6 6vasp-settings/kpoints-mesh-force3 2 1vasp-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