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Re: SCF Convergence Problem in modelling Ag cluster
Davide Vanossi
vanossi.davide@unimore.it
On Fri Oct 7 '11 12:52pm, Davide Vanossi wrote
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Dear All,
I performed several other tests on my Ag37Co cluster, following Sanya’s suggestions, but unfortunately I was not able to obtain the SCF convergence; setting mult=3 or mult=5 and guess=hcore didn’t help a lot. Have a nice day
Davide
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Thu Oct 20 '11 12:18pm
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