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spin polarized calculations

From: manuela.volpe@casaccia.enea.it
To: forum@abinit.org
Subject: spin polarized calculations
Date: Tue, 18 May 2004 16:26:48 +0200

Dear AbInit Users,
does anybody know if the occupation numbers in case of spin polarized
calculations can be optimized in some way by AbInit? I mean, if the total
number of electrons in the system is even, electrons are coupled anyway.
Otherwise,if I don't want so (for example for oxygen molecule) I have to set
occ by hand.
Help is welcome!!
Manuela Volpe

spin polarized calculations, manuela . volpe, 05/18/2004