Hi,al I am now using pdosxml to extract the date which can plot by graphyic program i want to get a output format like this: E ion spin s p d f tot 0.0 1 up 0.233 0.000 0.000 0.000 0.233 0.1 2 up 0.233 0.000 0.000 0.000 0.233 0.2 3 up 0.233 0.000 0.000 0.000 0.233 0.3 4 up 0.233 0.000 0.000 0.000 0.233 0.4 5 up 0.000 0.000 0.000 0.000 0.000 how could i acheive this aim? my aim is know every atom's pdos,especilly total pdos. thanks a lot !!!!
-- lalala lalala