file of density

celio angel adil.e... at gmail.com
Sat Jun 14 10:39:50 UTC 2014


 Dear all users CP2K. I want to calculate the density of my system which 
contains two element and I have two file with the extension. PDOS. but I do 
not know what are colones that i draw . in the  a second place how I can 
access the total density of the system and here's a file .pdos of 1 element. 
   thank you
   # Projected DOS for atomic kind Al at iteration step i = 10, E(Fermi) 
=     0.2275847181 a.u.
#     MO Eigenvalue [a.u.]      Occupation                 
s                 p                 d                 f
       1         -0.532108        2.000000        0.41345815        
0.00032583        0.00048271        0.08842621
       2         -0.526803        2.000000        0.29142656        
0.10227464        0.03695879        0.09922355
       3         -0.525964        2.000000        0.29084636        
0.10233511        0.03660112        0.09930256
       4         -0.514541        2.000000        0.08411988        
0.13658584        0.22763235        0.21128770
      
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