# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/11053144-df89-4e82-ab8f-7e21bc21fd9c/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 La3U(ClO2)3 / P6_3/m (176) / materials id 554303](https://mdr.nims.go.jp/datasets/dca188ff-1e44-431e-b807-1f75fe8ffd4b)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE La 06Sep2000PAW_PBE U 06Sep2000PAW_PBE Cl 06Sep2000PAW_PBE O 08Apr2002vasp-settings/kpoints-mesh-relax2 2 4vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-554303vasp-settings/kpoints-mesh-nac2 2 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