# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/fdee9356-31d4-4246-ab6f-f5c44f7fa8a4/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 CdBiSe2Br / Pnma (62) / materials id 570590](https://mdr.nims.go.jp/datasets/ca1e7bd6-5a00-458b-97ae-6a15006651ce)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Cd 06Sep2000PAW_PBE Bi 08Apr2002PAW_PBE Se 06Sep2000PAW_PBE Br 06Sep2000vasp-settings/kpoints-mesh-relax2 5 2vasp-settings/INCAR-relaxEDIFF = 1e-08EDIFFG = -1e-08ENCUT = 356.6368GGA = PSIALGO = 38IBRION = 2ISIF = 3ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4NSW = 10PREC = AccurateSIGMA = 0.01SYSTEM = mp-570590vasp-settings/kpoints-mesh-nac2 5 2vasp-settings/kpoints-mesh-force1 2 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 356.6368GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 356.6368GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01