# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/beb641e8-4eef-4f6b-a374-28b548626940/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 NdAl3(BO3)4 / R32 (155) / materials id 7337](https://mdr.nims.go.jp/datasets/483a2739-0361-406a-b40c-066cd5caab00)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE B 06Sep2000PAW_PBE O 08Apr2002PAW_PBE Al 04Jan2001PAW_PBE Nd_3 06Sep2000vasp-settings/kpoints-mesh-relax2 2 3vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-7337vasp-settings/kpoints-mesh-nac4 4 4vasp-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