iOpenShell » Technical questions » Linear Dependency Thresholds in G03

Linear Dependency Thresholds in G03

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Member
Registered: Sep 2007
Posts: 11
This maybe more of an odd question, but I was wondering if anyone could tell me what G03's default setting for detecting linear dependency?

I'm running into some issues with some of my clusters and I think it's because G03 uses a tighter threshold for this than Molpro does.
Member
Registered: Sep 2007
Posts: 20
hi glen, check IOp(6/76) in the manual:
http://gaussian.com/g_tech/overlay_6.htm#6_15
Member
Registered: Sep 2007
Posts: 11
Thanks! Must've missed that one during my search.

Thought it might have been 10**-6.
Member
Registered: May 2013
Posts: 1
Hi, guys this is first time i am visiting this forum. Its glad to see such a great info posted here. So many things i came to know new by this forum.

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iOpenShell » Technical questions » Linear Dependency Thresholds in G03