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