CVS option doesn't seem to work ...
1 month 2 days ago #1340
by EvGen
CVS option doesn't seem to work ... was created by EvGen
Hello,
I am interested in using the CVS option in CI calculations to get core-excited states. I performed some test calculations with and without the option and got the same results (see the files attached). I wonder if the option does work and if it does, how to use it? I guess the core orbital, which an electron is promoted from, should be among the active orbitals, right?
Best regards,
Evgeniy
I am interested in using the CVS option in CI calculations to get core-excited states. I performed some test calculations with and without the option and got the same results (see the files attached). I wonder if the option does work and if it does, how to use it? I guess the core orbital, which an electron is promoted from, should be among the active orbitals, right?
Best regards,
Evgeniy
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1 month 2 days ago #1341
by EvGen
Replied by EvGen on topic CVS option doesn't seem to work ...
Here is the file with CVS=1
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