reference for qmmm link method

Geng Sun sungen... at gmail.com
Wed Jan 13 08:29:48 UTC 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  
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20160113/7663fa31/attachment.htm>


More information about the CP2K-user mailing list