# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/9ca6fc5a-7c8b-49b1-b8da-7893e0443652/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 Rb2BaNb2Se11 / P2_1/c (14) / materials id 571293](https://mdr.nims.go.jp/datasets/0009f3db-927a-404f-95e3-a2ac932b8927)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Rb_pv 06Sep2000PAW_PBE Ba_sv 06Sep2000PAW_PBE Nb_pv 08Apr2002PAW_PBE Se 06Sep2000vasp-settings/kpoints-mesh-relax3 1 1vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 275.0215GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-571293vasp-settings/kpoints-mesh-nac3 1 1vasp-settings/kpoints-mesh-force1 1 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 275.0215GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 275.0215GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01