On Apr 7, 2011, at 20:26 , Yu Zhang wrote: > What should I do next? answer the following question: >> does it work for the provided example? 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