# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/1d3f1f69-d577-4868-adf5-3d822ef27f99/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 BaNd2BeO5 / P2_1/c (14) / materials id 17836](https://mdr.nims.go.jp/datasets/abc25eaf-8a3d-4a5a-8c20-a2c2c27442cf)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Be 06Sep2000PAW_PBE O 08Apr2002PAW_PBE Ba_sv 06Sep2000PAW_PBE Nd_3 06Sep2000vasp-settings/kpoints-mesh-relax3 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-17836vasp-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