Hi, everyone
The "PBE hybrid functional" is given as:
Exc(PBE)=a*Ex(HF)+(1-a)*Ex(PBE)+Ec(PBE). There is a weight parameter "a" in the
range (0,1), and PBE0 is for a=0.25. How can I change the parameter "a" in the
input file of PWSCF code?
"Phys. Rev. Lett. 101, 106802 (2008)" and "Phys. Rev. Lett. 101, 046405 (2008)"
have changed parameter "a" in order to make the bandgap value of some
semiconductors agreed with experiment.
thanks
myang
Tel:?86-010-6275-7594
Email: vcuteym at 126.com
School of Physics
Peking University
Beijing, 100871
China
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