Dear Siesta Users/Developers
I am comparing charge densities given by siesta. Due to the closeness of the densities I am comparing, I would like the grid points at which the densities are given to line up. To this end I need to be able to tune the grid used for output to the .RHO file. I noticed that increasing MeshCutoff (the equivalent plane wave cutoff for the grid) increases the grid fineness in all 3 dimensions. Is there a way in which I can tune the grid fineness in each dimension seperately? - ideally specifying explicitly the number of grid points in each dimension. And another related question: what are the units of the numbers in the .RHO output? I have tried to figure this out, but have come to the conclusion that the numbers aren't normalized to anything, because adding up the total density by adding all points in .RHO results in different totals for the same system with different nr of grid points. Thanks. Rainer -- UTS CRICOS Provider Code: 00099F DISCLAIMER: This email message and any accompanying attachments may contain confidential information. If you are not the intended recipient, do not read, use, disseminate, distribute or copy this message or attachments. If you have received this message in error, please notify the sender immediately and delete this message. Any views expressed in this message are those of the individual sender, except where the sender expressly, and with authority, states them to be the views the University of Technology Sydney. Before opening any attachments, please check them for viruses and defects.
