[Pw_forum] old references for examples

David Strubbe dstrubbe at berkeley.edu
Thu Dec 6 00:58:32 CET 2012


Dear QE developers,

I would like to point out some issues with the examples: (1) PHonon example
04 speaks of a calculation on SiH4 with phcg, and contains reference
results for that, but it is not actually run. (2) Nearly all of the
examples for PHonon and PW have reference results from version 4. This
makes it quite difficult to use them as a testsuite, which sort of seems to
be the intention. There are extensive differences in output between 5.0.2
and the references, mostly from different formatting of the output file.
Probably also there are some real differences about how the calculation
proceeds. Yet other differences may be due to a problem with my build. If
you could provide reference results in the release that were from the
current version, it would be much easier to decide whether there are any
actual problems being detected or not.

Regards,
David Strubbe
MIT
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