# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/c5fa3f7b-0736-4e72-aa21-6a036039ea2a/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 CdGe(BiO3)2 / P2_1/c (14) / materials id 554740](https://mdr.nims.go.jp/datasets/067cd3a7-4a48-4c87-b469-c4af47c3b00e)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Cd 06Sep2000PAW_PBE Ge_d 03Jul2007PAW_PBE Bi 08Apr2002PAW_PBE O 08Apr2002vasp-settings/kpoints-mesh-relax3 4 2vasp-settings/INCAR-relaxEDIFF = 1e-08EDIFFG = -1e-08ENCUT = 520.0GGA = PSIALGO = 38IBRION = 2ISIF = 3ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4NSW = 10PREC = AccurateSIGMA = 0.01SYSTEM = mp-554740vasp-settings/kpoints-mesh-nac3 4 2vasp-settings/kpoints-mesh-force3 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