# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/e848fee6-1d31-4fae-952d-e3c421dcc90c/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 TiFe2Si / Fm-3m (225) / materials id 866141](https://mdr.nims.go.jp/datasets/dfcad4a6-a30b-4205-9241-51c792457b5a)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Ti_pv 07Sep2000PAW_PBE Fe_pv 02Aug2007PAW_PBE Si 05Jan2001vasp-settings/kpoints-mesh-relax4 4 4vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 381.2094GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-866141vasp-settings/kpoints-mesh-nac6 6 6vasp-settings/kpoints-mesh-force2 2 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 381.2094GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 381.2094GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01