Hey guys, Just a little question, is in PWscf something like Mulliken population analysis? I was trying to get out of my dos their d character (namely t2g and eg)! There is any match between the order as the dos projections are printed and what will be printed within the "Mulliken population analysis or whatever", that for certain quantum espresso has already implemented? Basically if in my projection is something like: pdosup(E) pdosup(E) pdosup(E) pdosup(E) pdosup(E) , the Mulliken routine will print out the population in the same order?
Many thanks, Piero -- Pieremanuele Canepa Room 104 Functional Material Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom e-mail: pc229 at kent.ac.uk mobile: +44 (0) 7772-9756456 -----------------------------------------------------------
