# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/56521c34-5ef5-4142-812e-bf014dc35e18/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 Ca2NbInO6 / P2_1/c (14) / materials id 560645](https://mdr.nims.go.jp/datasets/fd0c516d-a7cc-40b0-827b-3b201f9b4376)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Ca_pv 06Sep2000PAW_PBE Nb_pv 08Apr2002PAW_PBE In_d 06Sep2000PAW_PBE O 08Apr2002vasp-settings/kpoints-mesh-relax4 3 3vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-560645vasp-settings/kpoints-mesh-nac4 3 3vasp-settings/kpoints-mesh-force2 2 3vasp-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