# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/8e6b6390-d347-498d-91a5-9a2891b1f346/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 KNa(BH4)2 / P3m1 (156) / materials id 571414](https://mdr.nims.go.jp/datasets/4afb7637-d912-4a8f-8414-bea44665aa7e)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE K_pv 17Jan2003PAW_PBE Na_pv 19Sep2006PAW_PBE B 06Sep2000PAW_PBE H 15Jun2001vasp-settings/kpoints-mesh-relax5 5 3vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 414.1982GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-571414vasp-settings/kpoints-mesh-nac5 5 3vasp-settings/kpoints-mesh-force2 2 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 414.1982GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 414.1982GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01