# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/ab4198a4-4cba-4b34-95a6-86c3c1179d3b/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 SiAs2 / Pbam (55) / materials id 978553](https://mdr.nims.go.jp/datasets/69474d44-263e-471a-a510-342d7d45d910)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Si 05Jan2001PAW_PBE As_d 11Apr2003vasp-settings/kpoints-mesh-relax2 1 5vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 375.2463GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-978553vasp-settings/kpoints-mesh-nac2 1 5vasp-settings/kpoints-mesh-force1 1 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 375.2463GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 375.2463GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01