[Pw_forum] Xcrysden 3D-charge plot for missing atoms-Reg
suresh2007pgp19 at gmail.com
Fri Jul 25 11:39:35 CEST 2014
Respected experts/Dear Friends,
I have done optimisation
for Cu doped tio2. Then I used postprocessing code for 3D charge density
plot. It is known that atoms having negative sign in its coordinates will
not be shown by XCRYSDEN. So i can not saw 3D charge plot for some missing
atoms in xcrysden.
Is there a way to visualise 3d charge plot for atoms which is not shown in
If this thing is already discussed in the forum please let me know about it.
Madurai Kamaraj University,
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users