# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/a96cf57f-ac67-43f4-893c-2b041b8d6962/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 Na2PdS2 / Cmc2_1 (36) / materials id 10223](https://mdr.nims.go.jp/datasets/6069c57c-1ead-4639-9cb9-5a4cc656bbf2)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Na_pv 19Sep2006PAW_PBE S 06Sep2000PAW_PBE Pd_pv 28Jan2005vasp-settings/kpoints-mesh-relax6 2 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 337.4293GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-10223vasp-settings/kpoints-mesh-nac6 6 2vasp-settings/kpoints-mesh-force2 1 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 337.4293GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 337.4293GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01