# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/0e8f5683-ddd0-4dba-a19f-31d124867bb2/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 La(ErS2)3 / P2_1/m (11) / materials id 973441](https://mdr.nims.go.jp/datasets/5049a607-1804-461f-a79c-62e055f09417)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE La 06Sep2000PAW_PBE Er_3 06Sep2000PAW_PBE S 06Sep2000vasp-settings/kpoints-mesh-relax2 5 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 336.2957GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-973441vasp-settings/kpoints-mesh-nac2 5 2vasp-settings/kpoints-mesh-force1 2 2vasp-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