# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/e4c0cb03-a1ef-48ab-a0e6-e27b027ae057/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 Hg(BiS2)2 / C2/m (12) / materials id 554921](https://mdr.nims.go.jp/datasets/c653518e-7d30-4c2a-8a1f-010c1f900f97)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Hg 06Sep2000PAW_PBE Bi 08Apr2002PAW_PBE S 06Sep2000vasp-settings/kpoints-mesh-relax2 5 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 336.2957GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-554921vasp-settings/kpoints-mesh-nac5 5 2vasp-settings/kpoints-mesh-force2 1 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 336.2957GGA = PSIALGO = 38IBRION = -1ISMEAR = 0KPAR = 32LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 336.2957GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01