# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/f15cc59f-3c7f-492a-ac8f-942510adde35/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 Li6Zr2O7 / C2/c (15) / materials id 5418](https://mdr.nims.go.jp/datasets/2edf1f92-d258-4319-8052-8b619a000862)

## Fulltext

# vasp-settings/PAW\_dataset.txtPAW\_PBE Li\_sv 10Sep2004 PAW\_PBE O 08Apr2002 PAW\_PBE Zr\_sv 04Jan2005 # vasp-settings/kpoints-mesh-relax2 3 2 # vasp-settings/INCAR-relaxEDIFF = 1e-08 ENCUT = 648.7442 GGA = PS IALGO = 38 ISMEAR = 0 LCHARG = .FALSE. LREAL = .FALSE. LWAVE = .FALSE. NELM = 100 NELMIN = 5 NPAR = 4 PREC = Accurate SIGMA = 0.01 SYSTEM = mp-5418 # vasp-settings/kpoints-mesh-nac4 4 2 # vasp-settings/kpoints-mesh-force2 2 2 # vasp-settings/INCAR-nacEDIFF = 1e-08 ENCUT = 648.7442 GGA = PS IALGO = 38 IBRION = -1 ISMEAR = 0 LCHARG = .FALSE. LEPSILON = .TRUE. LREAL = .FALSE. LWAVE = .FALSE. NELM = 100 NELMIN = 5 PREC = Accurate SIGMA = 0.01 # vasp-settings/INCAR-forceADDGRID = .TRUE. EDIFF = 1e-08 ENCUT = 648.7442 GGA = PS IALGO = 38 IBRION = -1 ISMEAR = 0 ISYM = 0 LCHARG = .FALSE. LREAL = .FALSE. LWAVE = .FALSE. NELM = 200 NELMIN = 5 NPAR = 16 PREC = Accurate SIGMA = 0.01