# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/9a5db9b3-4841-45d9-a4fb-0ee580511933/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 Rb2HgPSe5 / P4_2/n (86) / materials id 569349](https://mdr.nims.go.jp/datasets/5b5cbb6c-0c23-458f-a73a-d97d9a794bf5)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Rb_pv 06Sep2000PAW_PBE Hg 06Sep2000PAW_PBE P 06Sep2000PAW_PBE Se 06Sep2000vasp-settings/kpoints-mesh-relax1 1 3vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 331.552GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-569349vasp-settings/kpoints-mesh-nac1 1 3vasp-settings/kpoints-mesh-force1 1 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 331.552GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 331.552GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01