Construct COOP after doing pDOS onto Bader?

Bader charge density analysis

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Construct COOP after doing pDOS onto Bader?

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Hi all,

I have been doing pDOS on to Bader volumes but now I want to project onto molecular orbitals but not individual s, p or d orbitals. I have been trying to find guidelines to construct COOP (crystal overlap population function) from the PROOUT file but have many hours on google I still haven't found the answer.

Anyone out there that can assist me.

I guess the first thing is to do DOS calculations with LORBIT=12 to get full PROCAR and then LORBIT = 5?? How do I then use the information in PROOUT to get COOP?

Thanks,
Sig
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