[Wien] BFGS Warning

[Jack London]

> >  :Warning: BFGS Theta reduced to 
> 0.939262143119133

> Similar the the warning about the curvature
> condition, you should only
> be concerned if this is happening repeatedly.

The warning message of BFGS is different from WARNING
message of "CURVATURE CONDITION FAILED". The last one
can be found in both case.outputM and case.scf_mini
files. That's means we can find the error message
after the MINI  stoped. And know how many times the
warning message shows in case.scf_mini. But the first
one is only in case.outputM file NOT in case.scf_mini
file. It is generated during MINI running. When MINI
stoped, we can't find any hint of BFGS Warning message
in any file. We don't know if it is happening
repeatedly. 

Best regards

Zhang


		
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