reference for qmmm link method

Geng Sun sungen... at gmail.com
Wed Jan 13 09:29:48 CET 2016


Hello, everyone,

    are there any references about the link types of qmmm methods in CP2K.

    I want to carry out qmmm calculations for  bulk ZrO2 and using an 
embeded model. 

    only a part of the ZrO2 is described by QMMM, others by MM.  I want to 
 know whether the link method in cp2k could handle this problem.

Thanks

Geng Sun  
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