On Jul 7, 2009, at 13:06 , Dimpy Sharma wrote: > also I want to ask one more thing, will there be any > difference in my output result, if instead of atomic > coordinates, I use fractional coordinates?
you mean: atomic coordinates in crystal axis? there is no difference, as long as they correspond to the same system P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
