[Pw_forum] question about hybridized atoms

yelena yelena at ipb.ac.rs
Tue Jun 16 16:47:59 CEST 2015


Dear All,
I wanted to model structure with sp2 and sp3-hybridized carbon atoms. 
So to do that, i need to put 2 types of carbons in my pw input, lets 
call them C1 and C2s. And there I have to add information about hybrid 
orbitals. I am not sure how to do that. Can anyone offer me some advice 
or point me in direction to find answer.
Thank you!
PhD Student
J. Pesic
Center for Solid State and New Materials
Institute of Physics Belgrade,Serbia



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