On Jun 26, 2010, at 7:10 , mohnish pandey wrote: > many times its given error " Enough space not allocated to fft grid"
this means that you are starting from an initial cell that is too different from the final one. > I was thinking of the way to vary a and b and fix the c. look at "cell_dofree" variables and how they are used. P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
