ebs_ipr_atom#
- ElectronicBandStructure.ebs_ipr_atom()[source]#
It returns the atom-resolved , pIPR:
pIPR_j = frac{|c_j|^4}{(sum_i |c_i^2|)^2}
Clearly, ( sum_j pIPR_j = IPR ).
Mind: ( c_i ) is the wavefunction ( c(n,k)_i ), in pyprocar we already have density projections, ( c_i^2 ).
THIS QUANTITY IS NOT READY FOR PLOTTING, please prefer self.ebs_ipr()
- Returns:
ret (list float) – The IPR projections