On Mon, 29 Dec 2008 13:20:24 +0100, penghua <penghua8503 at 163.com> wrote: > But, why twice scf calculations are done in this calculation? What is > the intention of each calculation?
It is explained quite clearly in the README file in the example07 directory: the first one is for DOS calculation, the second for phonons. Please read the README file accurately, as it provides vital hints and answers your question in detail. > Besides can I calculation the electron-phonon interaction of > semiconductor? I don't see any problem with it, but I don't really know the matter in depth thus some technical problems may arise. cheers P.S. please provide your affiliation when writing to pw forum! -- Lorenzo Paulatto SISSA & DEMOCRITOS (Trieste) phone: +39 040 3787 511 skype: paulatz www: http://people.sissa.it/~paulatto/ *** save italian brains *** http://saveitalianbrains.wordpress.com/