hi dear siesta users, I used COOP analyze for pz orbital of carbon in my molecular system (benzene which is functionalized by methyl group) but I don't know these peaks corresponds to C2pz-Cpz for benzene or C2pz-C2pz between carbon of benzene and carbon in methyl? if I want to know, what should I change in my coop.mpr file? I really need these information thanks a lot for your attention
- [SIESTA-L] coop analyze Mehrzad Sasanpoor
- [SIESTA-L] coop analyze Mehrzad Sasanpoor
- [SIESTA-L] comparing the interaction between 2... Mehrzad Sasanpoor
