# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/da28a884-fd6e-4363-8c70-9b064991d78e/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 Sr3(AlP2)2 / C2/c (15) / materials id 9843](https://mdr.nims.go.jp/datasets/24cd571b-d7a3-4bef-94cb-f44105eea333)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Al 04Jan2001PAW_PBE P 06Sep2000PAW_PBE Sr_sv 07Sep2000vasp-settings/kpoints-mesh-relax2 2 3vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 331.552GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-9843vasp-settings/kpoints-mesh-nac2 2 3vasp-settings/kpoints-mesh-force2 1 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 331.552GGA = PSIALGO = 38IBRION = -1ISMEAR = 0KPAR = 32LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 331.552GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01