[Wien2k-announce] BInding energies

francesco d'acapito wien2k-announce@zeus.theochem.tuwien.ac.at
Tue, 21 Sep 2004 10:03:45 +0200


I'm simulating the structure of vacancy-As groups in Si with a 16 atoms fcc 
supercell. Is it possible to retrieve the binding energy of the As atom 
from the standard output files ?
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dr. Francesco d'Acapito
GILDA CRG c/o ESRF
BP220 F-38043 Grenoble (F)

Tel +33 4 76882426   Fax +33 4 76882743

e-mail: dacapito@esrf.fr
URL: http://www.esrf.fr/exp_facilities/BM8/handbook/control.html
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