# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/9d6d4784-0dfd-40ba-9a33-dc3cdd1f2126/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 Al2Ge(HO3)2 / C2/c (15) / materials id 643346](https://mdr.nims.go.jp/datasets/23b40936-a714-4d0c-8a6f-254a54d5337c)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Al 04Jan2001PAW_PBE Ge_d 03Jul2007PAW_PBE H 15Jun2001PAW_PBE O 08Apr2002vasp-settings/kpoints-mesh-relax4 2 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-643346vasp-settings/kpoints-mesh-nac5 5 2vasp-settings/kpoints-mesh-force2 2 2vasp-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