From NWChem
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| 11:59:44 AM PDT - Fri, Jul 5th 2013 |
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Quote:Jhammond Jul 5th 12:49 pmPlease post your input file and I'll try to figure it out. This may be a pathological case though.
Do you think that 5e-6 is to sloppy of convergence for this problem btw?
Sorry that was a wrong click, my internet browser is really stupid...
Please delete the previous post and I will paste my input in a better way..
Thanks
SR
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Edited On 12:02:19 PM PDT - Fri, Jul 5th 2013 by Rusun
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