[DFTB-Plus-User] no detailed.xml file as input file for the waveplot_process

Bálint Aradi aradi at uni-bremen.de
Wed Dec 16 10:00:11 CET 2020


> 
> Note: The following floating-point exceptions are signalling:
> IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO IEEE_OVERFLOW_FLAG
> IEEE_UNDERFLOW_FLAG IEEE_DENORMAL

Those are IEEE exceptions as defined by the Fortran standard. They are
raised if some potentially problematic numerical operations (such as
exp(-X), where X is big) are carried out in DFTB+  or in any of the
external libraries it uses. They have nothing to do with the output
files. Just ignore them.

Best regards,

Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/


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