Multiwfn forum

Thanks for answering
I could make a script which could be useful to prepare .chg file for sobtop using Mulliken charges generated in Orca. If you want I can share it with you.
Is there any way to include .ini file into bash shell to perform sobtop from any folder?

Thanks

Hello
I'm trying to perform electron-hole analysis via script for several excited states, but it never shows the results for first excited state, while it is nicely done if it is launched separately for the same first excited state. I use Orca 5.0.3. The script is from folder of excitation analysis.
Thanks

The problem was solved due to correct .out file which must be obtained with activated TDA. I apologize.

Thanks!
Indeed, I could not find this procedure in your manual. Now everything works fine.
I have another question about a script. I was trying to make mine for Multiwfn. Is it possible to generate a file with HOMO and LUMO orbitals without GUI, which I need to close to finish my  script? Is there any command for that?

Thanks