<div dir="ltr">Hello,<div><br></div><div>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?</div>
<div><br></div><div>Unless very little refinement is necessary, this won't affect performance much. It's shorter, though. See:</div><div><a href="https://github.com/maxhutch/quantum-espresso/commit/69f5c2dba36945a9d0ed3f8ece5e8a768f1316a2">https://github.com/maxhutch/quantum-espresso/commit/69f5c2dba36945a9d0ed3f8ece5e8a768f1316a2</a><br>
</div><div><br></div><div>Thanks,</div><div>Max</div></div>