On Tue, 2013-05-21 at 10:29 +0800, ??? wrote: > Why no answers??
maybe because your questions are either too generic or too confused or written in too bad English? and nobody has time to waste answering ill-posed questions? P. > At 2013-05-18 22:04:41,"???" <18733462676 at 163.com> wrote: > Dear all, > When I calculate the phonon band,there are some > questions ,I want some help fro yours, > The questions are followed as bellow, > 1,Before the phonon calculation , must the lattice > parameters be relaxed ? Can I use the crystal parameters > fully relaxed by other software,e.g ,CASTEP code? or the > lattice parameter of experimental? > 2.I want to know whether the frequency at gamma is hard to > calculate to be preferable(ideal)? > 3.What are the common questions about phonon band calculation? > Finally,I am looking forward to the calculational experience > from you to get the ideal phonon band plot.e,g,the setting of > parameter in code, > Thank you very much , > best wishes. > > > ?????????????? > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222