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How to run FF using external basis.lib with ECP basis?
Vyacheslav
kreme_vg@chemy.kolasc.net.ru
Hi!
Small question: is it possible to use external basis.lib file with ECP basis? If so, what should I do about it? I can not explain FF that the basis.lib file has the ECP group; it uses only the valence part of the potential from external lib.
Thanks in advance!
Vyacheslav
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Fri Oct 22 '10 10:59am
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