Hello All,
If EOMSOL 2 is defined in the TCE block, the oscillator strength of only the first root is printed out. I assume this is a bug, as a feature it is a bit silly. Any way to circumvent it, or a patch to fix it would be cool!
Here's a quick example, without EOMSOL 2 the oscillator strengths of all 3 roots are printed:
START tce_h2o_eomcc
GEOMETRY UNITS BOHR
H 1.474611052297904 0.000000000000000 0.863401706825835
O 0.000000000000000 0.000000000000000 -0.215850436155089
H -1.474611052297904 0.000000000000000 0.863401706825835
END
BASIS
* library sto-3g
END
SCF
SINGLET
RHF
END
TCE
EOMSOL 2
CCSD
DIPOLE
FREEZE CORE ATOMIC
NROOTS 3
TARGETSYM a1
SYMMETRY a1
END
TASK TCE ENERGY
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