On May 30, 2012, at 12:10 , Guido Fratesi wrote: > By removing the check the code produces the results expected, > yet this is not *the* solution.
"the" solution is a little bit complex to implement; an approximate solution is to remove the check if ibrav=0 (done in development version). Thank you for reporting this 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
