The ABINIT Users Mailing List ( CLOSED )

[PGanesh <pganesh@ciw.edu>]

Dear Abiniters,

I am having trouble identifying the total energy in a "E" field 
calculation.  Is it the "ETOT" at the final step when convergence is 
reached or "Etotal" that is reported at the end? I would have expected 
them to be same (and they are for a regular SCF calculation with no E 
field).  Is it possible that the first one (ETOT) is related to the 
electric enthalpy value while the "Etotal" is simply the total energy?

Thanks,
Ganesh