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WRONG ECP

David G.
david.grifith@gmail.com



Hi

I have followed the instruction to make $ECP group but still I get the following error.

WRONG ECP LIST IN $ECP GROUP!
$ECP GROUP SHOULD DEFINE THE VALID ECP PARAMETERS FOR ALL ATOMS.

Attached please find my input file which includes the LANL2DZ ECP.

Sincerely, David

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