Currently, the save_abc function in the Lanczos only saves the a, b, and c coefficients. This is good if we want the spectrum in arbitrary units.
If instead we want a spectrum with correct units (i.e. when combining multiple perturbations that may have a different modulus, or mixing electronic and ionic suscieptibility), we need to save the full status, which includes the ensemble and memory-heavy files for restarting.
It should be added to the first comment line (after the #) the possibility to save the perturbation modulus. This should also be correctly reloaded by a load_abc function that prepares the Lanczos for plotting, including the actual perturbation modulus.
Currently, the
save_abcfunction in the Lanczos only saves the a, b, and c coefficients. This is good if we want the spectrum in arbitrary units.If instead we want a spectrum with correct units (i.e. when combining multiple perturbations that may have a different modulus, or mixing electronic and ionic suscieptibility), we need to save the full status, which includes the ensemble and memory-heavy files for restarting.
It should be added to the first comment line (after the #) the possibility to save the perturbation modulus. This should also be correctly reloaded by a load_abc function that prepares the Lanczos for plotting, including the actual perturbation modulus.