[Pw_forum] plotrho and atom core !

[m]

Hi

As it seems the atom cores (black circles) that are sketched by plotrho
code have identical sizes for different atoms. So it can make some plots
that have less taste for a chemist.
For example in my system I have C-C and C-H bonds with 1.4 and 1.1 angstrom
lengths respectively; I can see the density of electrons between the two
carbon atoms clearly however for
the C-H the two atom cores are tangent to each other and one cannot see the
density of electrons between the two atoms as clear as the former case. I
'd better mention that I can understand that there is a chemical bond with
the lines (contours) that come from the side of the circles but it would be
nicer if they had different sizes. Does it seem sensible to make a bit
change in the code ? or any comment to make the plot nicer ? Many thanks,
Sincerely Yours.


Ciao, m





----------------------------------------
Masoud Nahali
International School for Advanced Studies (SISSA)
masoud.nahali at gmail.com
alum.sharif.edu/~m_nahali
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