# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/041d4d5c-8c78-402e-9a63-f472d8322e8b/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 Bi2PbSe4 / R-3m (166) / materials id 675543](https://mdr.nims.go.jp/datasets/1b1c37c6-38d2-4bf7-b2e5-9e023609f4b3)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Bi 08Apr2002PAW_PBE Pb_d 06Sep2000PAW_PBE Se 06Sep2000vasp-settings/kpoints-mesh-relax6 6 1vasp-settings/INCAR-relaxEDIFF = 1e-08EDIFFG = -1e-08ENCUT = 309.1855GGA = PSIALGO = 38IBRION = 2ISIF = 3ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4NSW = 10PREC = AccurateSIGMA = 0.01SYSTEM = mp-675543vasp-settings/kpoints-mesh-nac6 6 6vasp-settings/kpoints-mesh-force3 3 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