Can anyone suggest some free software that can visualize the charge density and/or electron localization function (ELF)? More importantly, can we determine/know those values (charge density and/or ELF) to any arbitrary position of the structure - i.e. not just the color map?
Is there any free software that helps to know specific charge densities or ELFs at any position of the material?
Yes, for example the Python package chemtools gives several examples of calculating the ELF from a Gaussian cube or similar wavefunction file.
At the moment, it will generate a Gaussian-compatible cube, but you can interpolate to whatever point you want. (I haven't gone through the Python code in detail, but I suspect you could get the ELF or other metric at points without generating the cube.)
$\begingroup$ Thanks @Geoff. Does it calculate the charge densities as well (in addition to ELF)? $\endgroup$– SakDec 7, 2022 at 20:52
$\begingroup$ I'm not 100% sure what you mean by "charge density" - do you want the electron density (yes) or the electrostatic potential (yes). See the examples for the range of analysis. $\endgroup$ Dec 8, 2022 at 13:59