[Pw_forum] Am I right?

[Paolo Giannozzi]

On Jun 11, 2012, at 9:16 , Peng Tao wrote:

> I am going to apply the "rigid-band model" to the slightly hole- 
> doped systems.
> In order to realize it, I set tot_charge=0.01, and keep other  
> parameters unchanged.
> Am I right? Is this the "rigid-band model"?

no: in the "rigid-band model", you have a fixed band structure, you  
move the Fermi
energy. What yuo do is not much different, though, since the charge  
you are adding
is so small

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222