# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/a87bcc3d-aa69-4a34-9395-0eaf766460b4/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 Nd2Te4O11 / C2/c (15) / materials id 5121](https://mdr.nims.go.jp/datasets/af1e7dec-f3c6-475e-9e34-6b9bd9dbe1bc)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE O 08Apr2002PAW_PBE Te 08Apr2002PAW_PBE Nd_3 06Sep2000vasp-settings/kpoints-mesh-relax2 4 1vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-5121vasp-settings/kpoints-mesh-nac4 4 1vasp-settings/kpoints-mesh-force2 2 1vasp-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