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