[Pw_forum] getting polarization due to electric field

[Paolo Giannozzi]

On Mon, 2014-08-04 at 14:08 -0400, Nossa, Javier wrote:

> I am trying to get the polarization due to a external electric field.
> To do so, I start with a bare scf calculation. Then a nscf including
> an external electric field (lberry= .true.). After the calculation is
> done, no polarization due to the external electric field is printed
> out. 

look at the examples (berry.in and berry.in1 in PW/tests/), carefully
check the output: the polarization calculation might have been disabled
for some specific reason. In such a case a message is usually issued.

P.

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