Bug in the Kerker mixing

Ali Akbari aliakb... at gmail.com
Thu Feb 19 15:49:09 UTC 2015


I have noticed that the Kereker mixing does not work any longer in the XAS 
calculation and produces the following message.

* Program received signal SIGSEGV: Segmentation fault - invalid memory 

I have tested different versions of CP2K and this bug appears in versions 
of 2.5 and 2.6.

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