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