[Pw_forum] charge density in o2 molecule

[farid taherkhani]

I am calculating charge density for simple case O2 molecule(oxygen), I
obtained 2-D contour for charge density of o2 molecule.In post processing of
o2 molecule, "o2 charge " file, was created , I do not know what is the
content of "o2 charge" file? what are the variables ? As a matter of fact
in  "o2charge" file there are many numbers by 5 columns any many rows. I
want to find the position of  maximum charge density in o2 molecule. I do
not know how can I do that?  (  there is similar problem  for  post
processing in "example 05" in PWSCF and there is  charge density for "  si
charge" file).  Any help will be appreciated.

Best,

Farid

-- 
Farid Taherkhani
PhD Student of Physical Chemistry
Department of Chemistry
Sharif University of Technology
Tehran, Iran
Tel: +989359464596
http://mehr.sharif.edu/~taherkhani/
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