- Date: 2018/02/04 20:22
- Name: satoru tanibayashi
- Dear OpenMX Developers,
In "System.Name.conductance", average conductance are presented.
I am understanding that those values are averaged not only in kgrids specified in "NEGF.tran.Kgrid", but also in energy range specified in "NEGF.tran.energyrange".
Now, I would like to get conductance averaged only in kgrids.
As for energy, I would like to fix to the Fermi energy.
When I specified like
NEGF.tran.energyrange 0.0 0.0 1.0e-3 # default=-10.0 10.0 1.0e-3 (eV)
NEGF.tran.energydiv 1 # default=200
I could not obtain k-averaged conductance.
Are there any way to get them?
Or, should I extract conductance of the Fermi energy from "System.Name.tran#_%", and average them by myself?