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