[CP2K-user] [CP2K:13301] COF cell optimize exploded

Yingchun Zhang zhangyin... at 126.com
Fri May 15 18:26:45 UTC 2020


Hi Linfeng,

can you test the cutoff with EPS_DEFAULT of 1.0e-12 or 1.0e-14?
based on my experience, a cutoff of 1200 is too large for DZVP and CHO 
systems;

Best,
Yingchun
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