[CPMD-list] singlet and triplet

Natasa Mateljevic natasa.mateljevic at yale.edu
Thu Nov 21 19:32:27 CET 2002


Hi,
what does GEMAX stand for and in what range shoudl it be in the output?
I cant get this to work for triplet when I specify multiplicity 3 the 
GEMAX remains very big.
Natasa




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