# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/93f3a2ba-523d-4c70-a0e8-7a14168dd9c6/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 KNa2BO3 / Pmmn (59) / materials id 8263](https://mdr.nims.go.jp/datasets/3acbb0b6-a721-4afb-ad85-d60bec997d37)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE B 06Sep2000PAW_PBE O 08Apr2002PAW_PBE Na_pv 19Sep2006PAW_PBE K_pv 17Jan2003vasp-settings/kpoints-mesh-relax4 3 4vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-8263vasp-settings/kpoints-mesh-nac4 3 4vasp-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