# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/4159c18c-732f-4d2e-b4a3-4f3151570f37/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 Sr2Ga2S5 / Pbca (61) / materials id 14680](https://mdr.nims.go.jp/datasets/a4c755f0-3107-45ec-aea6-1422bbb41755)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE S 06Sep2000PAW_PBE Ga_d 06Jul2010PAW_PBE Sr_sv 07Sep2000vasp-settings/kpoints-mesh-relax2 2 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 367.4983GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-14680vasp-settings/kpoints-mesh-nac2 2 2vasp-settings/kpoints-mesh-force1 2 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 367.4983GGA = PSIALGO = 38IBRION = -1ISMEAR = 0KPAR = 8LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 367.4983GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01