[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

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

More information about the users mailing list