Dear All, First of all, thank you for your time. I’m learning to analyze the results, such as to visualize the molecular orbital and also look into the DOS and PDOS et. al. But when go through the Denchar program and its user guide, I cannot really catch it idea and had some problem. I wonder if someone can give some example more explicit about how to make use of wavefunction and electron density file produced by the SIESTA. For example, for the experience one, if you could give an example about H2O or some other simple molecule with the visualizing program XcrySDen. And some explains or comments would be appreciates.
It may be a waste of time for you to do this, so maybe just comment some idea, and if possible, please also include some materials. Thank you very much in advance. And thanks for your time again! Best regards, Wan
