TURBOMOLE Users Forum

Forum General => TURBOMOLE Forum General => Topic started by: ylniu on September 28, 2010, 07:26:38 AM

Title: Question about ruecker
Post by: ylniu on September 28, 2010, 07:26:38 AM

Dear all,

I need to understand how the program "NumForce" or "ruecker" generates the coord files during frequency calculation of excited state, whenever the molecule has symmetry or has no symmetry. But the program "ruecker" is a binary file which can not be read. May I get some clues from you ?

Thanks

Title: Re: Question about ruecker
Post by: christof.haettig on November 18, 2010, 06:05:23 PM

Why do you need to now this?

Christof