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Dear Dr. Tian Lu.
Recently, I have been working on UV prediction using STEOM-DLPNO-CCSD as implemented in ORCA 504.
The generated .out or .gbw files load into Multiwfn okay, but when I plot the calculated UV, the program crashes (the window automatically closes). I can see that the orca calculation finished ok and there is nothing strange with the files as inspected in the text editor. This happens in different computers with the latest Multiwfn version.
Is there any way to solve this problem?
Thanks in advance
Felipe
Pages: 1