[Pw_forum] CVS Changes in output file format

Paolo Giannozzi giannozz at nest.sns.it
Tue Feb 12 09:41:31 CET 2008


Paul M. Grant wrote:

> Paolo, just don't change the description/location of the Fermi energy!

the Fermi energy is printed in an appropriate way. The other variables
were printed in a confused way.

> I'm rather curious about your remark that dforceb.f may still contain
> errors...isn't this a key routine in Berry phase calculations?

apparently the incorrect calls are never called

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy




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