On Dec 7, 2011, at 9:28 , WF wrote: > Is the “tbiba_b” should be tpiba_b as used elsewhere? > yes. It is fixed in the next version. Thank you 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