[Q-e-developers] QE tests

Paolo Giannozzi paolo.giannozzi at uniud.it
Fri Jan 6 12:59:24 CET 2012


The following tests, now in PW/tests/ do not work any longer:
    cluster2.in,   paw-atom.in,   paw-vcbfgs.
They yield "negative dr2" in mix_rho. Any idea?

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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