[Pw_forum] 'Tetrahedra' and 'scf'

[Paolo Giannozzi]

On Oct 27, 2010, at 23:02 , Eduardo Ariel Menendez Proupin wrote:

> I think it would be helpful and appreciated to keep scf with  
> tetrahedron method

it is still working: it is sufficient to comment out a check in PW/ 
input.f90 .
Anyway, I'll set a les restrictive condition

> It would also be fine if the program just don't calculate the  
> forces when the tetrahedron
> method is chosen, and give a  warning for the beginners "forces are  
> not variational.
> Use other smearing method"

beginners don't read warnings, and when they do, they don't  
understand it ...

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