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From: DR. WOON KAI LIN (ph7klw76_at_um.edu.my)
Date: Mon Apr 18 2016 - 20:56:51 CDT
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Dear all
I am trying to visualize the HOMO and LUMO of a molecule. I am using here ,
an example of a caffeine molecule from a molden file created by TERACHEM
software. I can visualize the HOMO level but not the LUMO level. I see that
i get 0.000grad. I dont know what that mean. I am using the latest window
version of VDM. Any comment is highly welcome. I have tried water
molecule, the LUMO can be visualized. Somehow molecules such as caffeine
and molecule larger than that, the LUMO cannot be visualized.
best regards
KL WOON
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