# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/d35d8caa-d86a-4c73-8e01-03f0e50a4fce/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 Sr3AlSb3 / Cmce (64) / materials id 17667](https://mdr.nims.go.jp/datasets/793b727d-2585-471e-9ed8-bf2d9aaae1bd)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Al 04Jan2001PAW_PBE Sr_sv 07Sep2000PAW_PBE Sb 06Sep2000vasp-settings/kpoints-mesh-relax1 3 1vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 312.39GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-17667vasp-settings/kpoints-mesh-nac3 3 1vasp-settings/kpoints-mesh-force1 1 1vasp-settings/INCAR-nacALGO = AllEDIFF = 1e-08ENCUT = 312.39GGA = PSIBRION = -1ISEARCH = 1ISMEAR = 0KPAR = 6LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 300NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 312.39GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01