Hello,<div><br /><div>I am trying to calculate the excited state of trigonal Al2O3 with PBE0 functional, while using a PBE converged wavefunction as the initial guess for the PBE0 calculation. Unfortunately, the calculation never converges. But when similar operations are applied to cubic Al2O3, the calculations converge easily.</div><div><div><br /></div><div>Why does this happen? What should I do to make the trigonal Al2O3 calculation converge with PBE0 functional?</div></div></div>
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