On Thu, 2014-05-08 at 10:14 +0800, H.Y Geoffrey Tse wrote: > The scf calculation in prior to run was doing fine, > but somehow crashes when doing the eps run.
it doesn't crash "somehow": it crashes because it doesn't find the data file. More exactly, the code doesn't seem to look for the correct file. I guess that this is related to the presence in your input of funny characters instead of plain ' ' quotes. P. -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
