# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/b3b0a729-edc8-4263-98eb-5e652a5c573b/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 Cs2NbAgSe4 / Fddd (70) / materials id 14637](https://mdr.nims.go.jp/datasets/7cd275e5-aa99-4bdb-878c-5744b4395a28)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Se 06Sep2000PAW_PBE Nb_pv 08Apr2002PAW_PBE Ag_pv 09Dec2005PAW_PBE Cs_sv 08Apr2002vasp-settings/kpoints-mesh-relax3 1 1vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 387.2245GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-14637vasp-settings/kpoints-mesh-nac4 4 4vasp-settings/kpoints-mesh-force2 1 1vasp-settings/INCAR-nacALGO = AllEDIFF = 1e-08ENCUT = 387.2245GGA = PSIBRION = -1ISEARCH = 1ISMEAR = 0KPAR = 2LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 300NELMIN = 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