Il giorno 05/gen/2011, alle ore 12.02, mohaddeseh abbasnejad ha scritto: > Dear developers, > > I have a question regarding the pw2casino code. > I have noticed that when the code tries to extract the coefficients of wave > function for a desired k-point, > the value of the mentioned point differs in the pwfn.data; e.g (1.0 0.0 > 0.0) ------> ( 0.69 0.0 0.0)
Are you sure they are both expressed in the same units? (e.g., 2\pi/a versus reciprocal lattice vectors) GS > I wonder what is the cause? > > Yours, > M. Abbasnejad > > --------------------------------------------------------- > > Mohaddeseh Abbasnejad, > Room No. 323, Department of Physics, > University of Tehran, North Karegar Ave., > Tehran, P.O. Box: 14395-547- IRAN > Tel. No.: +98 21 6111 8634 & Fax No.: +98 21 8800 4781 > Cellphone: +98 917 731 7514 > E-Mail: m.abbasnejad at gmail.com > Website: http://physics.ut.ac.ir > > --------------------------------------------------------- > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum ? Gabriele Sclauzero, EPFL SB ITP CSEA PH H2 462, Station 3, CH-1015 Lausanne -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110105/28fa8a31/attachment.htm
