On Feb 16, 2011, at 17:04 , YY wrote: > Here is the input file atomic positions are missing. This makes it impossible to run it 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