I have added the two missing keywords to make the calculation go on, but the original symmetry failed
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Excited-state calculation ( b3u symmetry)
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EOMCCSD SOLVER TYPE 1
there is a bug in the program 0
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current input line :
0:
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there is a bug in the program 0
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current input line :
0:
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This error has not yet been assigned to a category
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For more information see the NWChem manual
For further details see manual section: No section for this category
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I changed the symmetry and found
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Excited state root 1
Excitation energy / hartree = ...
/ eV = ...
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I have discarded the log and all the related files?because I am not interested in it.
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