On Jul 26, 2012, at 9:39 , Ranber Thakur wrote: > VC-md calculations does not stop after nstep. It keep running > forever. What does this mean? Is there some strange bug?
sort of. More exactly: nobody has ever cared about this. It will likely be fixed whenever a long-overdue cleanup of the molecular dynamics code will be done 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
