On Nov 19, 2010, at 16:54 , farid taherkhani wrote: > 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?
files produced by post-processing codes are not for human consumption. If you want to see where the maximum is, the simplest way is to make a plot three-dimensional plot with XCrySDen or similar software P. --- Paolo Giannozzi, Dept of Chemistry&Physics, Univ. Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
