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.<br><br>Best,<br><br>Farid<br clear="all"><br>-- <br>Farid Taherkhani<br>PhD Student of Physical Chemistry <br>Department of Chemistry<br>Sharif University of Technology<br>Tehran, Iran<br>Tel: +989359464596<br>
<a href="http://mehr.sharif.edu/~taherkhani/">http://mehr.sharif.edu/~taherkhani/</a><br>