Dear all,
Anyone knows how to perform EOM-CC calculation without symmetry? Basically I just hope to calculate the first 3 transitions, regardless which irreducible representatation they belongs to.
I tried by assigning
.NSYM
1
and
.NCCEXCI
3
but it seems Dalton still recognize the symmetry of the molecule, and calculate the first 3 transitions belonging to its first irreducible representation. So, is there any way to force the program treat molecule's symmetry as C1?
Thank you all very much!
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update:
"NoSymmetry" solved the problem.
how to force Dalton to ignore symmetry
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