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- Tue Sep 27, 2016 1:29 pm
- Forum: Ground state
- Topic: Problem with t41.file test
- Replies: 4
- Views: 5561
Re: Problem with t41.file test
Hi, I am running into similar error and I am not able to figure out why my jobs are crashing. Any help will be greatly appreciated. Requested basis set is non-standard Compound shells will be simplified There are 30 shells and 82 basis functions A cutoff of 1.0D-12 yielded 442 shell pairs There are ...