[Pw_forum] Berry Phase

[Paolo Giannozzi]

On Feb 28, 2011, at 12:35 , Srijan Kumar Saha wrote:

> I am facing the following error  during polarisation computation  
> with Berry Phase method;
>      from c_phase : error #         1
>      Polarization only for insulators and no empty bands

I am not sure that the case you are interested in (spin-polarized  
insulators)
is actually supported. If it isn't, the error message is misleading.  
If it is, the
error message is incorrect. You may try to comment the check in
PW/bp_c_phase.f90 and see what happens (no warranty)

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222