[Wien] precise decimal digits for COA ratio

chin Sabsu chinsabsu at yahoo.in
Fri Jul 27 11:16:05 CEST 2018


Dear Peter Sir
I have done 2D optimization for a case and I need to make Vconst* files (manually, I deleted some that ana2D code gave).For example, I need to prepare like this: 
31.539224 13.55935 5021.80108 -197506.77004096 2.32601297259824401612    V-15.0_COA_-6.0
Here I see the decimal value for COA  is 21 (printed by the program).
I tried to get such a decimal precision (up to 21 decimal digit) but  I could not succeed.
Could you please help me how to get such precise decimal digits for COA ratio?

Kind regards
Chin S.

 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20180727/5b94fa96/attachment.html>


More information about the Wien mailing list