# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/178a2332-7fb6-47b2-868a-70af1a6301ce/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 Cs2DyCl5 / Pnma (62) / materials id 540695](https://mdr.nims.go.jp/datasets/3eec2c1d-6d0a-4407-bb4b-6ba5373b4a5c)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Cs_sv 08Apr2002PAW_PBE Dy_3 06Sep2000PAW_PBE Cl 06Sep2000vasp-settings/kpoints-mesh-relax2 3 1vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 341.2136GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-540695vasp-settings/kpoints-mesh-nac2 3 1vasp-settings/kpoints-mesh-force1 1 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 341.2136GGA = PSIALGO = 38IBRION = -1ISMEAR = 0KPAR = 32LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 341.2136GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01