Dear
I have a moleculer system with different levels that are close in energy,
when I run GW calculations I get this message
[WARNING]Detected a degeneracy breakdown induced by COHSEX Sc of 41.75898% in states (n,k)=(448,1)-(443,1)
is this important? or not?
best
javad
Degeneracy breakdown
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javad
- Posts: 44
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Degeneracy breakdown
Javad Exirifard
IPM - Institute for Research in Fundamental Sciences
P. O. Box 19395-5746
Niavaran Square
Tehran, Iran
IPM - Institute for Research in Fundamental Sciences
P. O. Box 19395-5746
Niavaran Square
Tehran, Iran
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claudio
- Posts: 526
- Joined: Tue Mar 31, 2009 11:33 pm
- Location: Marseille
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Re: Degeneracy breakdown
Dear Javad
it can happen that in some systems there are accidental degeneracies,
so in this case this is not a problem.
You should check if the degeneracy that is broken was due to some symmetry
or accidental.
best
claudio
it can happen that in some systems there are accidental degeneracies,
so in this case this is not a problem.
You should check if the degeneracy that is broken was due to some symmetry
or accidental.
best
claudio
Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com