[Pw_forum] new unit-cell volume in variable cell relaxation
Paolo Giannozzi
giannozz at democritos.it
Tue Mar 17 18:05:40 CET 2009
Eduardo Ariel Menendez Proupin wrote:
> However, when cell_dynamics='bfgs' the cell volume is not reported (pw.x
> of version 4.0.4 ).
it works in the cvs version
> I see in the text that bfgs is still experimental. If interesting for
> debugging the code, I can supply an input case where the relaxation fails
please!
P.
--
Paolo Giannozzi, Democritos and University of Udine, Italy
More information about the users
mailing list