Hi again
Sorry to bother again but I did not get a clear answer to my message of yesterday. Maybe I was not so clear.
As I said I tried to perform transport calculation with OMX pseudo/basis for a simple system (monatomic Iron wire)
It seems that there is a problem with OMX (with or without SOC) in the NEGF cycle (also with the recent 2015 version).
The first "standard" DFT (equivalent bulk) iterations work fine but problems start in the NEGF part which gives totally unphysical results (zero charge, zero transmission..). This does not happen with FHI pseudos...
Any hint would be very much appreciated.
Thanks in advance
Cyrille
