[Pw_forum] mixing_mode: "local-TF" and "TF".

[Jiayu Dai]

Dear Users,

Recently, when i did some calculations of molecular dynamics using pwscf code, i
found that the mixing_mode of local-TF and TF can improve the convergence greatly.
However, i did not understand how it works. Could anybody tell me? I know the
Thomas-Fermi theory, which is the foundation of DFT. So, the TF here is the same
as the Thomas-Fermi theory? Are there any references about it? And is there any
limitation for the usage of this mixing_mode?

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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