On Aug 16, 2010, at 12:12 , Bipul Rakshit wrote: > 1. in GRID_examples, its in 4.2 version examples only. > But I think its just a script, and it will work with older > versions of espresso's also.
I don't think so: some minor changes were made to the input and the logic of the phonon code > 2. With your personal experience, is libraries like scalapack, FFTW > increase > the calculation speed (the phonon calculation especially) my personal experience is a) reported in the user guide, b) of little importance anyway, since the actual performances of a code depend upon a large number of factors P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
