Electrostatic potential in spin-polarized calculations

nfbarrera

Hello everyone, I have a question about the calculation of planar averages of the electrostatic potential. When one uses ISPIN=2 (collinear spin calculations) the LOCPOT contains two datasets: spin up and spin down. How does VASPKIT generate the total electrostatic potential? I think both data sets contain the ionic potential, right? I'm sorry for not writing in chinese.
Best regards,
Nicolás

vaspkit

The current version of VASPKIT has a limitation where it can only read the first dataset. However, both datasets do contain the ionic potential. In the future version, we plan to include planar averages of the electrostatic potential for spin up, spin down, and total. Do you have any suggestions for how we can improve this functionality further? Additionally, we are looking to create an international forum on vaspkit.com and would greatly appreciate your participation.