| 4:43:33 PM PST - Tue, Jan 18th 2011 |
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Hi Bert,
Here is the input that I have most recently tested and have confirmed that it does not progress (the coordinates change only slightly). This was run with nwchem6.0 on a cray XT4 (athena at NICS). It's kinda big, but it contains all the functionality I would like to use. I have tested cosmo optimizations in the past with various methods and basis sets on various molecules (small and large). Nothing seems to work. Any help would be greatly appreciated.
Thanks,
--Niel
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