# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/e62d1a13-1f90-48b5-9d71-dc75c1339841/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 AgSe3I / Pmna (53) / materials id 569052](https://mdr.nims.go.jp/datasets/642f0178-8070-4b94-a19b-9438b42ee590)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Ag_pv 09Dec2005PAW_PBE Se 06Sep2000PAW_PBE I 08Apr2002vasp-settings/kpoints-mesh-relax1 4 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 387.2245GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-569052vasp-settings/kpoints-mesh-nac1 4 2vasp-settings/kpoints-mesh-force1 1 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 387.2245GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 387.2245GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01