UT theoretical chemistry code forum

ok, thanks!

Is there any way to know s,p,d... orbitals and their linear combination under DFT calculation? Like Gaussian can find out molecule orbitials.
Also, thankyou for answering my question Dr.graeme.

Dear all:

I want to analyze charge distributions on atoms by spatial and orbitals.
For example, in CO2 case, 2 electrons in C=O bonds are contributed by 2p orbitals of per oxygen.
I am wondering whether I could use Bader to do this work and how.