Multiwfn official website: http://sobereva.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn
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That worked! Thank you so much for your help! Very excited to use Multiwfn!
I ran the orca simulation provided above then created a molden input file as described. I then opened multiwfn and pressed enter and loaded in the molden file. Then hit 18 and enter then 13 and enter then input the path to the h2o.out file. The program said it was reading the file as a text file then gave the error about "Excited State" label. I pressed enter then input 1-3 and pressed enter then the program crashed/closed itself.
I think the problem might be related to how I installed the package. I downloaded the zip file for windows 64 then tried to extract the program but I get an error from the extraction program saying not enough memory resources.
Thanks
Hello,
I too am new to Multiwfn and I'm trying to learn it. I followed the instructions for the h2o example posted above but got an error saying "Unable to locate "Excited State" label". When I search the output file I can find "TD-DFT/TDA EXCITED STATES (SINGLETS)". Is there something I'm doing wrong? Can you help with this?
After this error I hit enter then input 1-3 and the program crashes/quits.
Thanks!
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