# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/80d13b11-385f-4b31-8c05-1f1622dd7f69/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 Pr3InSe6 / Pnnm (58) / materials id 21575](https://mdr.nims.go.jp/datasets/17d7b197-b114-4b62-94a4-778327b26b1f)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Se 06Sep2000PAW_PBE In_d 06Sep2000PAW_PBE Pr_3 07Sep2000vasp-settings/kpoints-mesh-relax1 1 5vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 310.9743GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-21575vasp-settings/kpoints-mesh-nac1 1 5vasp-settings/kpoints-mesh-force1 1 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 310.9743GGA = PSIALGO = 38IBRION = -1ISMEAR = 0KPAR = 32LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 310.9743GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01