ELSI solver with NC/SOC calculations
Summary:
Add support for NC/SOC calculations for the ELSI solver in the MaX releases.
Description:
A nice feature of the ELSI solver is that you can use full parallellization over k-points with all the solvers that ELSI supports. However, the ELSI solver does not currently work with NC or SOC calculations. It would be very nice if this support would be added. Is this something that can be done on the SIESTA side? Or would this require ELSI itself to be modified to support NC and SOC Hamiltonians?