# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/3ae53611-4434-4a93-9772-ed11020a097c/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 KDy(CO3)2 / C2/c (15) / materials id 9807](https://mdr.nims.go.jp/datasets/b03a2966-a041-418c-a519-2490e220362d)

## Fulltext

# vasp-settings/PAW\_dataset.txtPAW\_PBE C 08Apr2002 PAW\_PBE O 08Apr2002 PAW\_PBE K\_pv 17Jan2003 PAW\_PBE Dy\_3 06Sep2000 # vasp-settings/kpoints-mesh-relax3 2 3 # vasp-settings/INCAR-relaxEDIFF = 1e-08 ENCUT = 520.0 GGA = PS IALGO = 38 ISMEAR = 0 LCHARG = .FALSE. LREAL = .FALSE. LWAVE = .FALSE. NELM = 100 NELMIN = 5 NPAR = 4 PREC = Accurate SIGMA = 0.01 SYSTEM = mp-9807 # vasp-settings/kpoints-mesh-nac3 3 3 # vasp-settings/kpoints-mesh-force3 2 2 # vasp-settings/INCAR-nacEDIFF = 1e-08 ENCUT = 520.0 GGA = PS IALGO = 38 IBRION = -1 ISMEAR = 0 LCHARG = .FALSE. LEPSILON = .TRUE. LREAL = .FALSE. LWAVE = .FALSE. NELM = 100 NELMIN = 5 PREC = Accurate SIGMA = 0.01 # vasp-settings/INCAR-forceADDGRID = .TRUE. EDIFF = 1e-08 ENCUT = 520.0 GGA = PS IALGO = 38 IBRION = -1 ISMEAR = 0 ISYM = 0 LCHARG = .FALSE. LREAL = .FALSE. LWAVE = .FALSE. NELM = 200 NELMIN = 5 NPAR = 16 PREC = Accurate SIGMA = 0.01