On Oct 4, 2011, at 23:03 , Alexander G. Kvashnin wrote: > Yes, I check that, it works
it is the same as your case (H atom with local pseudopotential). Are you by any chance compiling with g95? P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
