# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/fe3656ab-2143-4e57-88f5-10c9c80d912f/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 Cs2Ni3Se4 / Fmmm (69) / materials id 14336](https://mdr.nims.go.jp/datasets/3080ae7c-666d-4ebb-a785-19675d9a412d)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Ni_pv 06Sep2000PAW_PBE Se 06Sep2000PAW_PBE Cs_sv 08Apr2002vasp-settings/kpoints-mesh-relax3 2 1vasp-settings/INCAR-relaxEDIFF = 1e-08EDIFFG = -1e-08ENCUT = 478.3818GGA = PSIALGO = 38IBRION = 2ISIF = 3ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4NSW = 10PREC = AccurateSIGMA = 0.01SYSTEM = mp-14336vasp-settings/kpoints-mesh-nac4 4 4vasp-settings/kpoints-mesh-force2 1 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 478.3818GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 478.3818GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01