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Posted: **Tue Apr 13, 2010 6:53 am**

I have a question about VASP program.

I want to confirm the orbital hybridization between two atoms.

Is there any vasp option for these kinds of calculations?

Thank you.

Posted: **Tue Apr 13, 2010 2:48 pm**

please have a look at the partial DOS (or the PROCAR file)

Posted: **Sun Jul 04, 2010 2:58 am**

would you (admin) or anyone elaborate how do I quantify from PDOS or PROCAR. Reference will be appreciated too.

Thank you.