On Aug 27, 2010, at 17:29 , joaquin peralta wrote: > tefield = .true. > dipfield = .true.
what about the calculation without external electric fields? you should start from the charge and wavefunctions calculated without electric fields P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
