Dear Siesta users and developers. I am running calculations of the same structure with different spin orientations. Since I am performing spin-orbit calculations with DFT+U, they can take a decent amount of time to converge. Hence, I was trying to use the .DM file of one of the calculations to start the others; however, the DM.InitSpin block information is overridden and the calculation starts using the same spin orientation from the converged .DM file. This even happens when using a .DM file from a non-polarized calculation, which gives a starting magnetization of 0.0. Is it possible to use the information of a .DM file and start with a given spin orientation simultaneously? If this is not possible, what else could I do to improve the convergence? I appreciate any help you can provide.
Best Regards, Andres Tellez.
-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
