Thank you, Sir! It's seems that now it's finally running. The program has already turned into Electric Fields Calculation section, and it looks that it's ok now. It progressively iterating.
I still wonder why it lost the thread of symmetry, giving the inproper normal modes number. It's monoclinic system (which I notice that QE define in a specific way) and I built the geometry by importing the coordinates and the cell parameters from CASTEP. When opened via Xcrysden or J-Ice, the geometry seems to be allright. All the cell parameters are correct. Loss of normal mode symmetry for such a low symmetric system is not a problem to me. However, It's courious. With kind regards, Casper Kacper Dru?bicki, Faculty of Chemistry, Department of Chemical Physics, Jagiellonian University, Ingardena Street 3, 30-060 Krak?w, Poland phone: +48 12 6632265 ----- Wiadomo?? oryginalna ----- Od: Paolo Giannozzi <giannozz at democritos.it> Data: Niedziela, Wrzesie? 11, 2011 6:46 pm Temat: Re: [Pw_forum] Ph.x problem. No results. Wrong irreducible representations number. Do: PWSCF Forum <pw_forum at pwscf.org> > On Sep 10, 2011, at 18:55 , Kacper Dru?bicki wrote: > > > london = .true. > > this is not currently implemented in the phonon code (and could > cause the latter to crash / hang) > > 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 > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
