[Q-e-developers] minor bug in new preconditioner of g_psi.f90

[Paolo Giannozzi]

On Oct 10, 2012, at 22:36 , Brian Austin wrote:

> I believe I've discovered a minor bug in the released version of  
> QE-5.0
> [...] Fortunately, this bug is inconsequential because the extra  
> factor of
> 1/2 gets propagated to both the Hamiltonian and overlap matrices

thank you. I just modified the code according to your suggestion.
Apparently everything works as before.

Paolo
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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