[Q-e-developers] potentially unnecessary initial computation of sc

[Maxwell Hutchinson]

Hello,

In the initialization part of the Davidson solver, cegterg, sc is computed
from evc with a zgemm and mp_sum.  evc should be coming into cegterg
already orthonormalized, so this should be unnecessary.  Are there cases
where this is not true?

Unless very little refinement is necessary, this won't affect performance
much.  It's shorter, though.  See:
https://github.com/maxhutch/quantum-espresso/commit/69f5c2dba36945a9d0ed3f8ece5e8a768f1316a2

Thanks,
Max
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