# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/7898faa0-4e59-4a78-8c4f-21924bdfd2e2/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 LiYSe2 / I4_1/amd (141) / materials id 37879](https://mdr.nims.go.jp/datasets/e7e94dc8-9258-478a-98fa-53f219844daf)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Li_sv 10Sep2004PAW_PBE Se 06Sep2000PAW_PBE Y_sv 25May2007vasp-settings/kpoints-mesh-relax4 4 2vasp-settings/INCAR-relaxEDIFF = 1e-08EDIFFG = -1e-08ENCUT = 648.7442GGA = PSIALGO = 38IBRION = 2ISIF = 3ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4NSW = 10PREC = AccurateSIGMA = 0.01SYSTEM = mp-37879vasp-settings/kpoints-mesh-nac4 4 5vasp-settings/kpoints-mesh-force1 1 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 648.7442GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 648.7442GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01