[Pw_forum] forces_bp_efield.f90

[Lorenzo Paulatto]

Dear Q.J. Wang,
what Stefano Baroni says is correct: applying an electric field via  
Berry phase (lefield=.true.) does not work for metals. The code does  
no issue an error because you may still know what you are doing, e.g.  
using the smearing in an insulator. Or having an odd number of  
electrons in an isolated molecule.

In a metal a constant external field only have an effect on the  
surface, usually limited to 2-3 layers of atoms.


Regards.

-- 
Lorenzo Paulatto
SISSA  &  DEMOCRITOS (Trieste)
phone: +39 040 3787 511
skype: paulatz
www:   http://people.sissa.it/~paulatto/

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