# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/c3de3b3a-a9ac-43ee-9a51-49f9acfb437d/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 Nd3Si2ClO8 / C2/c (15) / materials id 560830](https://mdr.nims.go.jp/datasets/1b5ade2d-39c7-48ce-a2b4-6933cb8c7d35)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Nd_3 06Sep2000PAW_PBE Si 05Jan2001PAW_PBE Cl 06Sep2000PAW_PBE O 08Apr2002vasp-settings/kpoints-mesh-relax1 3 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-560830vasp-settings/kpoints-mesh-nac3 3 2vasp-settings/kpoints-mesh-force1 2 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01