[CP2K-user] Help with printing MO eigenvalues
Yanbing Zhou
yan... at umich.edu
Tue May 19 19:20:18 UTC 2020
Hi all,
I was trying to print the MO eigenvalues from an LDA calculation of
diamond.
Here is the relevant part of the my input file (full input file could be
found in the attachment)
&PRINT
&MO
ADD_LAST SYMBOLIC
EIGENVALUES .TRUE.
OCCUPATION_NUMBERS .TRUE.
&END MO
&END PRINT
A list of output files was generated corresponding to each iteration, but
the MO eigenvalues written in those output files are all 0, as shown below:
[image: Screen Shot 2020-05-19 at 3.13.04 PM.png]
Any idea how to fix this problem?
Thank you!
Best,
-Yanbing
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