[CP2K-user] Broyden mixing second version
Nicholas Winner
nwi... at berkeley.edu
Thu Feb 25 18:08:32 UTC 2021
Hello all,
When I try to use the BROYDEN_MIXING_NEW option for a kpoint calculation,
cp2k seg-faults on the second SCF step. In other words, it makes it past
the first, where no mixing is performed, but as soon as mixing is applied
there is a seg fault.
I don't have the problem with the other mixing schemes. Are there, maybe,
some other keywords that need to be activated along with it?
If anyone knows it would be appreciated.
-Nick
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