[CPMD-list] Band gap and hybride EXC

[Eyvaz Isaev]

Dear users, 

Is there any recipie to calculate band gap for
semiconductors, say for Si, using hybride EXC (ACM0,
ACM1, etc.)? Should I first calculate optimized
wavefunctions and then start for EXC calculations? 
Should wavefunction optimization be carried out using
just the LDA functional?  

Any hint will be appreciated.

Bests,
Eyvaz.


		
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