# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/070d5c09-e572-40c6-bfe2-7c1fe23b7c4f/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 Rb2TaCuS4 / Fddd (70) / materials id 11923](https://mdr.nims.go.jp/datasets/14e74fe1-a564-4182-9a72-a6b9dab14ca7)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE S 06Sep2000PAW_PBE Cu_pv 06Sep2000PAW_PBE Rb_pv 06Sep2000PAW_PBE Ta_pv 07Sep2000vasp-settings/kpoints-mesh-relax4 1 1vasp-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-11923vasp-settings/kpoints-mesh-nac4 4 4vasp-settings/kpoints-mesh-force2 1 1vasp-settings/INCAR-nacALGO = AllEDIFF = 1e-08ENCUT = 479.2424GGA = PSIBRION = -1ISEARCH = 1ISMEAR = 0KPAR = 2LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 300NELMIN = 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