Some questions about transport|
- Date: 2015/06/23 00:57
- Name: khalid
- Dear Researchers,
I apologize that this question is not really related to Openmx code rather concerning my research. I hope you would be kind enough to answer my questions.
1. As for the transport, the conductor region C must include a portion of leads (L0 and R0), but what is not sure to me is what should be the size of L0 and R0? How could
I dtermine the size?
2. Again, if the C0 is different than L0 or R0, should I have to relax the conductor region (L0-C0-R0) first before running any transport calculation? I am trying to simulate a quite
complicated structure which I failed to relax evern after many hundreds of iteration.