[CP2K:6996] Mixing Method Recommendation
Chris Campbell
chris... at gmail.com
Tue Sep 15 14:30:58 UTC 2015
Hi S Ling,
Thanks for the explanation that helped.
I have completed my input and was just wondering if I could ask you to have
a quick glance at it for any last advice? I understand if this is asking
too much. My only changes to your scf were to increase MAX_SCF as
convergence did appear to be occurring but taking longer than 20 and I
lowered the tolerance.
Kindest Regards,
Chris
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