Multiwfn forum

Multiwfn official website: //www.umsyar.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn

You are not logged in.

Topics:Active|Unanswered

Pages:1

#1Re:Multiwfn and wavefunction analysis»Using MOs/NOs in Gaussian checkpoint as initial guess for Molpro»2022-03-06 14:03:01

alpetto

Dear Tian,
OK, thanks.
Best,
Alessandro

#2Multiwfn and wavefunction analysis»Using MOs/NOs in Gaussian checkpoint as initial guess for Molpro»2022-03-04 11:15:19

alpetto: Replies: 3

Hello,
I used your excellent script to convert MOs/NOs in a Gaussian checkpoint into a ORCA gbw file.

Is there a way to convert the MOs/NOs in a Gaussian checkpoint file into a file that can be read as initial guess by Molpro?

Thank you
Best Regards,
Alessandro

Pages:1

Board footer

Powered byFluxBB