[Smeagol-discuss] Ef set to zero in smeagol runs

[Salvador Barraza-Lopez]

  Dear smeagol users,
  I would like to ask the reason for the Ef to be equal to zero in smeagol 
runs. In siesta runs, this number gets to change as the iterations 
proceed. Could you please explein what is the motivation, reason for 
keeping it equal to zero? Thank you in advance.

siesta: iscf   Eharris(eV)      E_KS(eV)   FreeEng(eV)   dDmax  Ef(eV)
siesta:    1   -74901.5971   -75029.1956   -75029.1956  1.7097  0.0000
timer: Routine,Calls,Time,% = IterSCF        1    6855.854  96.64
siesta:    2   -74965.5864   -75020.2557   -75020.2557  0.7821  0.0000