# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/6f2d1b1e-b420-4d80-9888-3a960e15a2c6/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 Ba2Li(BO2)5 / P2_1/m (11) / materials id 6075](https://mdr.nims.go.jp/datasets/268dcc3a-bb4f-4186-8284-125b1fe84396)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Li_sv 10Sep2004PAW_PBE B 06Sep2000PAW_PBE O 08Apr2002PAW_PBE Ba_sv 06Sep2000vasp-settings/kpoints-mesh-relax5 1 3vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 648.7442GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-6075vasp-settings/kpoints-mesh-nac5 1 3vasp-settings/kpoints-mesh-force2 1 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 648.7442GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 648.7442GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01