Re: How to Use MECP


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Posted by Wcloud on February 27, 2006 at 15:27:55:

In Reply to: Re: How to Use MECP posted by Roland Lindh on August 24, 2005 at 11:45:18:

hi roland,
there is "!rm molcas.env" in your sample, I don't know the meaning of molcas.env,can you explain it in detail?
why this one is written in the input??


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if B is 1s22s22p1, what is Li?

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