[Pw_forum] What is the meaning of dipfield=.true. ?

[Paolo Giannozzi]

On Oct 10, 2009, at 14:07 , shypirate wrote:

> But my question is, what is the meaning if I set dipfield=.true. ?

did you read the documentation for variable dipfield?

                 If .TRUE. and tefield=.TRUE. a dipole correction is  
also
                 added to the bare ionic potential - implements the  
recipe
                 of L. Bengtsson, PRB 59, 12301 (1999). See variables  
edir,
                 emaxpos, eopreg for the form of the correction, that  
must
                 be used only in a slab geometry, for surface  
calculations,
                 with the discontinuity in the empty space.

> If I use dipfield=.false., all results are wrong, is not it?

if you use options without knowing what they do, there are good
changes that all your results are wrong

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