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What FF knows about h-shell of AOs?
I tried to run the test calculation with ANO-RCC basis set, which contains for numbers of atoms (Nb, for example) exponents in a H-shell. However FF writes
*** ERROR, ILLEGAL BASIS FUNCTION TYPE=H IGAUSS= 2
What do I should make - following Alexander the Great, to remove this part from the basis set :)?
Fri May 21 '10 1:55pm
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