# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/f14e8372-b17b-4b16-b88e-a0fc121b70cf/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 KGeNO / Pca2_1 (29) / materials id 6955](https://mdr.nims.go.jp/datasets/66fa929d-9acb-44cc-ae9e-637268f94424)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE N 08Apr2002PAW_PBE O 08Apr2002PAW_PBE K_pv 17Jan2003PAW_PBE Ge_d 03Jul2007vasp-settings/kpoints-mesh-relax3 2 4vasp-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-6955vasp-settings/kpoints-mesh-nac3 2 4vasp-settings/kpoints-mesh-force2 1 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