# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/d75fe63f-a7fd-48cf-a635-961347ea221c/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 Sr(ZnP)2 / P-3m1 (164) / materials id 8276](https://mdr.nims.go.jp/datasets/b17199bf-d35b-4f97-9fe7-c8f9570e1233)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE P 06Sep2000PAW_PBE Zn 06Sep2000PAW_PBE Sr_sv 07Sep2000vasp-settings/kpoints-mesh-relax6 6 3vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 359.7399GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-8276vasp-settings/kpoints-mesh-nac6 6 3vasp-settings/kpoints-mesh-force2 2 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 359.7399GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 359.7399GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01