# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/ea203796-7201-453a-b0fe-a9c1ac82edc2/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 K2Li14Pb3O14 / Immm (71) / materials id 504806](https://mdr.nims.go.jp/datasets/0298c28c-2193-4c57-8b56-a895365af605)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Pb_d 06Sep2000PAW_PBE K_pv 17Jan2003PAW_PBE Li_sv 10Sep2004PAW_PBE O 08Apr2002vasp-settings/kpoints-mesh-relax3 3 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 648.7442GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-504806vasp-settings/kpoints-mesh-nac3 3 4vasp-settings/kpoints-mesh-force1 3 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 648.7442GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 648.7442GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01