[Pw_forum] forces_bp_efield.f90
Lorenzo Paulatto
paulatto at sissa.it
Mon Dec 7 11:09:23 CET 2009
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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