Vini

Hi, I appreciate that you are working to automatize this kind of calculation in elk. Hopefully it will be out soon. yes I did use the spin-spirals energies. One doubt that I have for these calculations is how to make the different spirals use the same number of k-points, because for different paths the symmetry is lower than for others. Can I simply copy the SYMCRYS.OUT, SYMLAT.OUT, SYMSITE.OUT, KPOINTS.OUT files from the lowest symmetry setup to the the others? Or is there a flag in elk to suppress...

Dear elk community, I have been playing with elk in order to use the magnon dispersion energies to obtain exchange interaction parameters. I tried to reproduce some results of an antiferromagnetic system, GdCu, as in Fig. 3 of the following paper https://arxiv.org/abs/2005.13901v1. I have attached a figure with my calculations using elk, considering a much coarser k-mesh for the scf calculations than the one used in the paper. I would like to ask if anyone has a code (python, fortran, etc.) that...

Dear elk community, I have been playing with elk in order to use the magnon dispersion energies to obtain exchange interaction parameters. I tried to reproduce some results of an antiferromagnetic system, GdCu, as in Fig. 3 of the following paper https://arxiv.org/abs/2005.13901v1. I have attached a figure with my calculations using elk, considering a much coarser k-mesh the scf calculations than in the paper. I would like to ask if anyone has a code (python, fortran, etc.) that can use use such...