W3X-L input file

  • mongepm
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7 years 3 weeks ago #446 by mongepm
W3X-L input file was created by mongepm
Hi, I am Manuel, just started using Molpro.

Could anybody please provide with an input file to run W3X-L calculations?

Thank you very much

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7 years 3 weeks ago #447 by jcsontos
Replied by jcsontos on topic W3X-L input file
Well, this is a forum for MRCC related questions.
Nevertheless, you can find sample input and output files for W3X-L in the supporting information of the W3X-L paper ( pubs.acs.org/doi/suppl/10.1021/acs.jctc.5b00135 ).

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7 years 3 weeks ago #448 by mongepm
Replied by mongepm on topic W3X-L input file
Thank you very much jcsontos!

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