# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/56348111-e035-4737-aa20-d392d64e7ed6/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 Cs4Mg3F10 / Cmce (64) / materials id 5476](https://mdr.nims.go.jp/datasets/42c48aed-6687-41f1-92c9-4b3553beb67c)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE F 08Apr2002PAW_PBE Mg_pv 13Apr2007PAW_PBE Cs_sv 08Apr2002vasp-settings/kpoints-mesh-relax3 1 1vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 525.1077GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-5476vasp-settings/kpoints-mesh-nac4 4 1vasp-settings/kpoints-mesh-force2 1 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 525.1077GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 525.1077GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01