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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