# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/2c788ae9-f971-4171-b7aa-4c3be8935ce6/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 CsLi2Br3 / Immm (71) / materials id 606680](https://mdr.nims.go.jp/datasets/2bad98ee-f3a3-40d6-a6ba-5535a4a063a9)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Cs_sv 08Apr2002PAW_PBE Li_sv 10Sep2004PAW_PBE Br 06Sep2000vasp-settings/kpoints-mesh-relax4 4 2vasp-settings/INCAR-relaxEDIFF = 1e-08EDIFFG = -1e-08ENCUT = 648.7442GGA = PSIALGO = 38IBRION = 2ISIF = 3ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4NSW = 10PREC = AccurateSIGMA = 0.01SYSTEM = mp-606680vasp-settings/kpoints-mesh-nac4 5 6vasp-settings/kpoints-mesh-force1 1 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 648.7442GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.ALGO = AllEDIFF = 1e-08ENCUT = 648.7442GGA = PSIBRION = -1ISEARCH = 1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NCORE = 8NELM = 200NELMIN = 5PREC = AccurateSIGMA = 0.01