wrong order of occupied MO

From: Sabri Messaoudi <sabri.messaoudi_at_email.domain.hidden>
Date: Mon, 27 May 2002 11:04:15 +0200
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I have an "scf convergence done" with adf but a wrong order of occupied molecular orbitals (1 1 1 0 0 0 1 1 1 ..., in an urestricted calculation). would anyone have an idea how to resolve this problem?
thanks in advance.
Received on 2002-05-27 12:09:55

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