> Hi > > I have attached an image which i had generated using the rho2xsf script > with > white being charge density at an isovalue of 0.04 and red being charge > density at an isovalue of 0.08. Does this look correct?? or is there any > mistake in it as there are abrupt discontinuities in charge densities >
Hi What you mean by "correct"? When you produce a figure, you have hopefully some idea of what you see and want to emphasize and to discuss in it. For a piece of art, it looks fine. For scientific use, your charge density is generated with so sparse grid (hence the "abrupt discontinuities" you notice) that it makes no sense to discuss it. I think we were already through it earlier. Best regards Andrei Postnikov
