# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/5f208432-bd55-4943-a811-eaec65c83e12/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 KLi4AlO4 / P2_1/c (14) / materials id 557268](https://mdr.nims.go.jp/datasets/a0a2ae3a-f7b6-463d-bbed-e48d8053386e)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE K_pv 17Jan2003PAW_PBE Li_sv 10Sep2004PAW_PBE Al 04Jan2001PAW_PBE O 08Apr2002vasp-settings/kpoints-mesh-relax4 1 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 648.7442GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-557268vasp-settings/kpoints-mesh-nac4 1 2vasp-settings/kpoints-mesh-force4 1 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