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Hello,
 
 I'm running a serial calculation on a large system (252 atoms). When I 
restart from a previous run wavefunction, the total energy is wrong (in my 
case, the last energy in SCF was -6222.4476080544 and after restart it is 
-5948.7260884049). I though that the problem was the different occupation 
numbers used in a new run, but although they are not exactly same as in the 
old run, I don't think this is just an effect of slightly different 
occupation numbers. I wonder if anyone have come across such a problem.

Thanks in advance,
 Alexander Tkatchenko
 UAM-Iztapalapa
 Mexico