[Pw_forum] problems with examples for bands.x

David Strubbe dstrubbe at berkeley.edu
Fri Dec 7 23:59:18 CET 2012


Dear QE developers,

When I run the examples for PP in version 5.0.2, I get failures for the
runs with bands.x. example01 in si.bands.out crashes with:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine bands (1):
     gamma_only case not implemented
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

The same happens in example04 in pt.bands.out and example06 in
Fe.bands.out. In none of these cases is the calculation gamma_only, so this
looks like a bug in bands.x.

David Strubbe
MIT
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