[Pw_forum] checkallsym : error

Paolo Giannozzi giannozz at democritos.it
Mon Jun 7 18:21:33 CEST 2010


On Jun 7, 2010, at 9:39 , giacsport at libero.it wrote:

>   bfgs_ndim         = 3

use the default. For some reason this little-tested (amd little-used)
option has some numerical instability in this specific case when run
on parallel machines

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






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