# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/341c095d-a50a-4e2c-86b2-a1373efa6e2e/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 FeP4 / P2_1/c (14) / materials id 27164](https://mdr.nims.go.jp/datasets/7f65d6b7-becc-4bc2-b8b9-18a103b5ead9)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE P 06Sep2000PAW_PBE Fe_pv 02Aug2007vasp-settings/kpoints-mesh-relax4 1 3vasp-settings/INCAR-relaxEDIFF = 1e-08EDIFFG = -1e-08ENCUT = 381.2094GGA = PSIALGO = 38IBRION = 2ISIF = 3ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4NSW = 10PREC = AccurateSIGMA = 0.01SYSTEM = mp-27164vasp-settings/kpoints-mesh-nac4 1 3vasp-settings/kpoints-mesh-force2 1 1vasp-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