On Jul 5, 2012, at 21:35 , Janet Wong wrote:

> ATOMIC_POSITIONS (crystal) <-- I think those rounded brackets "()"
> should be the squiggly brackets '{}' instead

it doesn't make any difference: the code looks for keywords in the line,
gnores everything else

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222




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