[molpro-user]Printing accuracy problem

Tatiana Korona tania at tiger.chem.uw.edu.pl
Mon Aug 27 11:59:36 BST 2007



Tatiana Korona

Dr. Tatiana Korona http://tiger.chem.uw.edu.pl/staff/tania/index.html
Quantum Chemistry Laboratory
University of Warsaw
Pasteura 1, PL-02-093 Warsaw, POLAND

`The man who makes no mistakes does not usually make anything.'
                                        Edward John Phelps (1822-1900)

On Sun, 26 Aug 2007, 张世扬 wrote:

> Dear Users,
> I'm having a printing accuracy problem in Molpro2006.1. As we all know, we can easily set energy accuracy using the global GTHRESH command, just like “GTHRESH, energy=1.d-10”. But how can I print the energy data with its accuracy 1.d-10(defalt 1.d-6). I have tried many method and command, but failed. If you have any experience in this problem, please help me to manage it. I would greatly appreciate your help.
> Shiyang Zhang

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