On Feb 15, 2013, at 10:52 , Jack Davis wrote: > Is there an issue using this particular pseudopotential with QE 5.0.1, > or are my cut offs too high? > > Again the calculations converge on the second HPC service.
the same calculation with the same input, same pseudopotential, same version of the code, same number of processors, converges on a second HPC service? make a diff of the two outpus (and provide the output for the latter case pleaee) 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
