[Pw_forum] What happens at REALLY large ectuwfc?

[Paolo Giannozzi]

On Jan 23, 2010, at 5:16 , Brad Malone wrote:

> So besides the using of a 2000 Ry cutoff for silicon, what else is  
> wrong here?

are you using the latest cvs version? apparently there is a problem
with the new symmetrization algorithm that will be fixed ASAP.

By the way, fcc Si with k=0 is an unphysical system: it may easily
yield funny results

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