# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/1a22336b-97e7-43ea-b3ef-25360c412eb6/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 ZrSnPt / F-43m (216) / materials id 961713](https://mdr.nims.go.jp/datasets/1086c60e-40bd-476c-8970-8f5cfb73f696)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Zr_sv 04Jan2005PAW_PBE Sn_d 06Sep2000PAW_PBE Pt 04Feb2005vasp-settings/kpoints-mesh-relax3 3 3vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 313.4079GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-961713vasp-settings/kpoints-mesh-nac5 5 5vasp-settings/kpoints-mesh-force2 2 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 313.4079GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 313.4079GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01