# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/7b9e496d-47a9-48da-bb92-9b00fb5e542e/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 CoP2 / P2_1/c (14) / materials id 14285](https://mdr.nims.go.jp/datasets/4e17f3fe-bc50-4111-9d14-a7f07cdfd8d5)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE P 06Sep2000PAW_PBE Co 02Aug2007vasp-settings/kpoints-mesh-relax4 4 4vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 348.3584GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-14285vasp-settings/kpoints-mesh-nac4 4 4vasp-settings/kpoints-mesh-force1 2 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 348.3584GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 348.3584GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01