[molpro-user]Printing accuracy problem

张世扬 zhangshiyang04 at mails.tsinghua.edu.cn
Sun Aug 26 13:44:10 BST 2007


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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