[CP2K-user] [CP2K:22133] Unable to print virtual MO energies
Xing Zhang
zhangxing.nju at gmail.com
Thu Mar 19 01:36:10 UTC 2026
I was trying to print both occupied and unoccupied MO energies for an XTB
calculation.
However, the output always only shows the occupied orbitals. I wonder if my
input is incorrect. Please help. Thank you in advance.
I have attached the input and output files.
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