# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/31393876-6818-4458-abff-62210e18f3ba/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 Bi2Te4Pb / R-3m (166) / materials id 676250](https://mdr.nims.go.jp/datasets/d47bcc94-d942-42a3-98f1-6f85c933b4ba)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Bi 08Apr2002PAW_PBE Te 08Apr2002PAW_PBE Pb_d 06Sep2000vasp-settings/kpoints-mesh-relax5 5 1vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 309.1855GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-676250vasp-settings/kpoints-mesh-nac5 5 5vasp-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