[Pw_forum] nondegenerate electrons in DFT.

[Jiayu Dai]

Dear Users,

Recently, i was dealing with systems with nondegenerate electrons, that is, when
T/T_F > 1 (T_F is the fermi temperature). I read some papers, and somebody said
that the calculation for these system is prohibitive in DFT. I did not know why
they said so. As my understanding, there is no limit in DFT to do with these
system. Although electrons are fermi particles, but the fermi distribution promise
the right states of electrons in the calculations.  And i did not find any
explanation about this in the textbook of DFT in my hand.

As an example, when the temperature is high enough, so that T/T_F is greater than
1, we can increase the bands window to deal with these cases, i think. Is it
correct for my understanding? 

Thanks a lot.

Jiayu




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Jiayu Dai
Department of Physics
National University of Defense Technology, 
Changsha, 410073, P R China
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