Significance of Z(eff) in MODULE QUICKSTEP:
Pankaj Mishra
pkmis... at gmail.com
Fri Oct 18 12:52:41 UTC 2013
Dear All,
During my simulation, i am looking for the parameters used. Can somebody
explain what is Z(eff) when MODULE QUICKSTEP starts in simulation ? I am
confused that is only the charge of total electrons or whole atom because i
have realized that Z(eff) is not zero even for the neutral system.
Thank you so much
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