# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/30e5a239-6ade-42cd-bc6e-d8c2b7efe946/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 Ba2Tl2O5 / Pnma (62) / materials id 18327](https://mdr.nims.go.jp/datasets/d14fffb6-f606-4a75-a0c6-8bc27a948750)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE O 08Apr2002PAW_PBE Ba_sv 06Sep2000PAW_PBE Tl_d 06Sep2000vasp-settings/kpoints-mesh-relax3 1 3vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-18327vasp-settings/kpoints-mesh-nac3 1 3vasp-settings/kpoints-mesh-force2 1 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