[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