From NWChem
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Edoapra Forum:Admin, Forum:Mod, bureaucrat, sysop
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Forum Vet
Threads 9
Posts 1578
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| 11:59:38 AM PDT - Mon, Aug 6th 2012 |
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Nothing wrong in the input file
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Ysun
I didn't have any convergence problem running your input file with NWChem 6.1 on the ORNL Cray XE6.
I would suggest you to try to complete your NWChem build (that I am trying to assist in the thread "half int file"),
and then try this input file again with that NWChem binary.
Cheers, Edo
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