[Wien] Isolated Atomic Calculation - Fermi Energy
Konstantin Nefedev
nefedev at gate.sinica.edu.tw
Sat Jul 14 13:01:38 CEST 2007
Dear All,
I have calculated isolated atom C (Stefaan thank you), and see that I have
TOTAL ENERGY IN Ry = -74.097972
F E R M I - ENERGY(TETRAH.M.)= -0.21810
What is the physical sense of the Fermy Energy for the one isolated atom?
Regards,
Konstantin
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20070714/8db9fcc9/attachment.html
More information about the Wien
mailing list