I'm not quite sure what you mean.
restore your saved calculation and:
i) Reduce emax in case.inso
This reduces the size of case.vectorso, but has no influence on the scf.
(One iteration is enough).
ii) reduce Ecut in case.in1. However, this will make your spinorbit
calculation much less accurate. You need to run the scf, but it should
converge quicker .
Am 07.11.2023 um 18:26 schrieb pluto via Wien:
Dear All,
I have a larger FM-SOC calculation converged (and saved) with the
default Ecut.
I would like to converge with smaller Ecut (say 1 Ry), to have the
output files smaller.
Is there a good way to do this, using the converged one as a starting
point, to avoid the lenghty convergence?
Best,
Lukasz
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