# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/8270ec64-511d-4308-ac18-f75367922112/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 CsK4TlO4 / Pbca (61) / materials id 562074](https://mdr.nims.go.jp/datasets/f0d3f2c6-fc3a-43d7-a94e-3d2e8531d22e)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Cs_sv 08Apr2002PAW_PBE K_pv 17Jan2003PAW_PBE Tl_d 06Sep2000PAW_PBE O 08Apr2002vasp-settings/kpoints-mesh-relax3 1 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-562074vasp-settings/kpoints-mesh-nac3 1 2vasp-settings/kpoints-mesh-force3 1 2vasp-settings/INCAR-nacALGO = AllEDIFF = 1e-08ENCUT = 520.0GGA = PSIBRION = -1ISEARCH = 1ISMEAR = 0KPAR = 4LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 300NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01