# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/ea80bf60-8f60-4285-8f9b-24d8ca984468/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 Rb2Cd(PSe3)2 / P2_1/c (14) / materials id 541897](https://mdr.nims.go.jp/datasets/3c1d1d92-a50b-4026-88ea-205558e24db9)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Cd 06Sep2000PAW_PBE Rb_pv 06Sep2000PAW_PBE Se 06Sep2000PAW_PBE P 06Sep2000vasp-settings/kpoints-mesh-relax4 2 3vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 356.6368GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-541897vasp-settings/kpoints-mesh-nac4 2 3vasp-settings/kpoints-mesh-force2 2 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 356.6368GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 356.6368GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01