# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/298cab41-895b-4dd3-93b1-1c64362440a9/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 PbBr2 / Pnma (62) / materials id 28077](https://mdr.nims.go.jp/datasets/50ba7049-2de1-4fad-b5d0-6a3437306439)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Br 06Sep2000PAW_PBE Pb_d 06Sep2000vasp-settings/kpoints-mesh-relax3 4 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 309.1855GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-28077vasp-settings/kpoints-mesh-nac3 4 2vasp-settings/kpoints-mesh-force1 1 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 309.1855GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 309.1855GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01