[Pw_forum] NEB error: unexpected dimension in ngg
Paolo Giannozzi
giannozz at democritos.it
Fri Jun 3 16:14:49 CEST 2011
On Jun 3, 2011, at 9:10 , Egbert Barnard wrote:
> I would appreciate any other suggestions in solving this problem.
try to figure out whether the problem happens when writing or when
reading wavefunctions; try a single scf calculation, since the problem
you mention should depend only upon the parallelization, cell, k-points
P.
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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
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