[CPMD-list] cpmd-test: ch2o output corrupt
E.Schumacher
ernstgreg at bluewin.ch
Thu Jan 30 19:52:10 CET 2003
Dear Curioni,
before starting the cpmd-test suite I checked your output:
In ch2o_s1geo_output and in ch2o_s1vib_output there are a few
thousand -NaNQ's.
In the latter there are also no harmonic frequencies, just NaNQ's.
Is this intentional to let the second tester find out, what went wrong? I
appreciate any comment before starting the tests!
The other output files seem to be ok and could be identically reproduced.
Thank you for CPMD-3.7!
Ernst Schumacher
ernst.schumacher at iac.unibe.ch or
ernstgreg at bluewin.ch
More information about the CPMD-list
mailing list