# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/4292047c-f43a-4c6d-ae12-ea7cceb3097a/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 KMg4(PO4)3 / Pnnm (58) / materials id 557844](https://mdr.nims.go.jp/datasets/45c4d907-c225-431f-9737-3fb63086f816)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE K_pv 17Jan2003PAW_PBE Mg_pv 13Apr2007PAW_PBE P 06Sep2000PAW_PBE O 08Apr2002vasp-settings/kpoints-mesh-relax2 1 3vasp-settings/INCAR-relaxEDIFF = 1e-08EDIFFG = -1e-08ENCUT = 525.1077GGA = PSIALGO = 38IBRION = 2ISIF = 3ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4NSW = 10PREC = AccurateSIGMA = 0.01SYSTEM = mp-557844vasp-settings/kpoints-mesh-nac2 1 3vasp-settings/kpoints-mesh-force2 1 3vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 525.1077GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 525.1077GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01