g0w0 restarts from recent q if crashed + speed up fix for q=0 (!43) · Merge requests · gpaw / gpaw

Per Schmidt requested to merge psisc/gpaw:g0w0_restart_option into master Apr 07, 2016

Made it so that if specified, the g0w0 calculation will restart from the most recent q-point that it got to before crash/out of time. Also moved a chunk outside the frequency loop for great speed-up for the q=0 calculation.

g0w0 restarts from recent q if crashed + speed up fix for q=0

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