Energy of Fermi, HOMO and LUMO |
- Date: 2013/01/18 23:36
- Name: zhe
- Dear all,
If "MO.fileout" is set to be "on", The HOMOs and LUMOs are output in Gaussian cube format. But where can I find the corresponding energy levels for HOMO and LUMOs?
Thank you very much! Zhe
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