# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/fffcaef8-b499-4aa1-8b89-9f54978de7af/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 CsPd2Cl5 / Pnma (62) / materials id 29988](https://mdr.nims.go.jp/datasets/c8e71524-42e2-4f64-8900-9cab1fb84bed)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Cl 06Sep2000PAW_PBE Pd_pv 28Jan2005PAW_PBE Cs_sv 08Apr2002vasp-settings/kpoints-mesh-relax1 2 4vasp-settings/INCAR-relaxEDIFF = 1e-08EDIFFG = -1e-08ENCUT = 341.2136GGA = PSIALGO = 38IBRION = 2ISIF = 3ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4NSW = 10PREC = AccurateSIGMA = 0.01SYSTEM = mp-29988vasp-settings/kpoints-mesh-nac1 2 4vasp-settings/kpoints-mesh-force1 1 2vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 341.2136GGA = PSIALGO = 38IBRION = -1ISMEAR = 0LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 341.2136GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01