# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/7b44c39f-4aac-4c37-b6c0-438c1f6d5a87/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 Y2NCl3 / C2/m (12) / materials id 28580](https://mdr.nims.go.jp/datasets/82fc4fbe-868b-4f9c-bcb2-4ba32aaea90d)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE N 08Apr2002PAW_PBE Cl 06Sep2000PAW_PBE Y_sv 25May2007vasp-settings/kpoints-mesh-relax1 5 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-28580vasp-settings/kpoints-mesh-nac5 5 2vasp-settings/kpoints-mesh-force1 2 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 520.0GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01