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August 23, 2019

Jobs fail for cyclic trihydrogen Log Out | Topics | Search
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WebMO Support Forum » Running WebMO Jobs » View Results » Jobs fail for cyclic trihydrogen « Previous Next »

Author Message
Pete Smith
Posted on Tuesday, February 01, 2005 - 1:52 pm:   

All of my attempts to perform calculations on cyclic trihydrogen fail. Any suggestions?

Pete
schmidt
Posted on Tuesday, February 01, 2005 - 2:44 pm:   

This is a 3-electon system (assuming its not charged), so it must be a triplet state. Make sure you are correctly specifying this in your input file.
Pete Smith
Posted on Thursday, February 03, 2005 - 11:27 am:   

I didn't consider the electrons... Unfortunately, that didn't fix it. Any other thoughts?

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