CCL:G: Scientific notation in Gaussian 16

[Johannes Margraf <margraf[-]fhi-berlin.mpg.de>]

Dear Andrew,

this is how you write a double precision real in Fortran. In other words: It's more or less equivalent to 6.626E-34. Although you should note that this is a really small number and issues of precision might actually be pertinent here.

Best regards,

Hannes

On 2022-01-11 18:57, Andrew DeYoung andrewdaviddeyoung###gmail.com wrote:

Hi,

 

It appears that various quantities that are output by Gaussian 16 use notation of the form 6.626D-34.  Is it correct for me to assume that this represents 6.626*10^(-34), and is equivalent to the scientific notation 6.626E-34 or 6.626e-34 used in other areas, such as in C/C++, Python, and MATLAB?  Or does the "D" represent anything different from, or in addition to, "*10^"?

 

Thank you for bearing with me with this question.  (I am what we call in the US a millennial, and am not terribly well acquainted with the sometimes historical origins and meanings of notation!)

 

Best,

Andrew

 

Andrew DeYoung, PhD

Department of Chemistry

Carnegie Mellon University