# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/80de57b0-64ff-4d15-be4d-713ab030c1bf/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 Cs2Mn3Se4 / Ibam (72) / materials id 3704](https://mdr.nims.go.jp/datasets/b0c6e75b-48f8-4891-8721-87d5134f2814)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Mn_pv 02Aug2007PAW_PBE Se 06Sep2000PAW_PBE Cs_sv 08Apr2002vasp-settings/kpoints-mesh-relax4 2 1vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 350.8232GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-3704vasp-settings/kpoints-mesh-nac2 4 4vasp-settings/kpoints-mesh-force1 2 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 350.8232GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 350.8232GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01