Problem with NEGF in real space

[msmzarg]

Hello
I am a Ph.D. Student that my interesting issue is CNT and GNR MOSFETs.
I used NEGF simulating GNR MOSFET in mode space method. But when I tried to change my simulation method to real space I encountered a problem in calculating electron density.
Details of simulation algorithm and the problem have been shown in attached file.
Would you please guide me to solve this problem?
Sincerely
Reza

 

[zje]

Are you coupling with a poisson solver? If so, how does that look?
How are you handling Vg and Bias in the MOSFETs?

Sorry, I'm not too much of an expert in NEGF...