# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/eec8a077-0257-4042-83b6-b2a2713b265d/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 Pr2S3 / Pnma (62) / materials id 15179](https://mdr.nims.go.jp/datasets/16f70ece-0a82-4aee-9c12-3ede2c1de311)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE S 06Sep2000PAW_PBE Pr_3 07Sep2000vasp-settings/kpoints-mesh-relax3 5 1vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 336.2957GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-15179vasp-settings/kpoints-mesh-nac3 5 1vasp-settings/kpoints-mesh-force1 2 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 336.2957GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 336.2957GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01