# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/a642774d-2f1d-4e49-bba6-1e9c2e61efde/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 TlBS3 / P2_1/c (14) / materials id 28809](https://mdr.nims.go.jp/datasets/0c92ad03-4523-49ee-a2a1-652a42dd1a68)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE B 06Sep2000PAW_PBE S 06Sep2000PAW_PBE Tl_d 06Sep2000vasp-settings/kpoints-mesh-relax3 2 4vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 414.1982GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-28809vasp-settings/kpoints-mesh-nac3 2 4vasp-settings/kpoints-mesh-force2 2 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 414.1982GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 414.1982GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01