# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/369bc6de-3ce2-4bc7-984a-50d0df5d28ee/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 K2H4Pd / I4/mmm (139) / materials id 643257](https://mdr.nims.go.jp/datasets/c96e07a0-ef14-472d-905b-e3abbad5370d)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE K_pv 17Jan2003PAW_PBE H 15Jun2001PAW_PBE Pd_pv 28Jan2005vasp-settings/kpoints-mesh-relax3 3 3vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 326.2025GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-643257vasp-settings/kpoints-mesh-nac4 4 5vasp-settings/kpoints-mesh-force2 2 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 326.2025GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 326.2025GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01