On Jul 5, 2012, at 21:35 , Janet Wong wrote:
> ATOMIC_POSITIONS (crystal) <-- I think those rounded brackets "()"
> should be the squiggly brackets '{}' insteadit doesn't make any difference: the code looks for keywords in the line, gnores everything else 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
