On Tue, Sep 1, 2015 at 9:18 PM, Bang C. Huynh <[email protected]> wrote:
> The input file is shown below > performances are better estimated from the output, rather than the input. What is useful in particular is the final printout with timings. It is sufficient to do it for a single scf step. Paolo -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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