# Fileset

[vasp-settings.tar.xz](https://mdr.nims.go.jp/filesets/dceaa0b4-adc4-4a42-aa83-708f6e235ab8/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 MoBr2 / Cmce (64) / materials id 29555](https://mdr.nims.go.jp/datasets/fd0d7a13-9fe2-4fbe-95cb-bb51adb9703c)

## Fulltext

vasp-settings/PAW_dataset.txtPAW_PBE Br 06Sep2000PAW_PBE Mo_pv 04Feb2005vasp-settings/kpoints-mesh-relax1 2 2vasp-settings/INCAR-relaxEDIFF = 1e-08ENCUT = 291.9592GGA = PSIALGO = 38ISMEAR = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5NPAR = 4PREC = AccurateSIGMA = 0.01SYSTEM = mp-29555vasp-settings/kpoints-mesh-nac2 2 2vasp-settings/kpoints-mesh-force1 2 1vasp-settings/INCAR-nacEDIFF = 1e-08ENCUT = 291.9592GGA = PSIALGO = 38IBRION = -1ISMEAR = 0KPAR = 8LCHARG = .FALSE.LEPSILON = .TRUE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 100NELMIN = 5PREC = AccurateSIGMA = 0.01vasp-settings/INCAR-forceADDGRID = .TRUE.EDIFF = 1e-08ENCUT = 291.9592GGA = PSIALGO = 38IBRION = -1ISMEAR = 0ISYM = 0LCHARG = .FALSE.LREAL = .FALSE.LWAVE = .FALSE.NELM = 200NELMIN = 5NPAR = 16PREC = AccurateSIGMA = 0.01