# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/ba6fcf1b-f64f-493c-8c2c-43d12a006727/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 Cs3Cu2(BiS2)5 / Pnnm (58) / materials id 669419](https://mdr.nims.go.jp/datasets/0b478182-6a2f-483e-b8df-b9a7ae1838a9)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Cs_sv 08Apr2002PAW_PBE Cu_pv 06Sep2000PAW_PBE Bi 08Apr2002PAW_PBE S 06Sep2000vasp-settings/kpoints-mesh-relax1 1 5vasp-settings/INCAR-relaxEDIFF = 1e-08EDIFFG = -1e-08ENCUT = 479.2424GGA = PSIALGO = 38IBRION = 2ISIF = 3ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4NSW = 10PREC = AccurateSIGMA = 0.01SYSTEM = mp-669419vasp-settings/kpoints-mesh-nac1 1 5vasp-settings/kpoints-mesh-force1 1 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 479.2424GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 479.2424GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01