Good references for learning CP2K program

sudipta sinha sudip... at gmail.com
Sat Apr 2 17:07:14 CEST 2016


Hello all,

I have recently started to learn CP2K program. I think the program is very 
unique and have many interesting features. I want to use this program 
primarily for ab-initio simulation. In order to learn this program, can you 
please provide some important references, which describe the flow of the 
program and basic mathematical understanding of the package. Another thing, 
can you also provide the information of a very basic and preliminary 
tutorial, so that I can understand each of the keywords of the manual and 
the underlying physics of that tutorial. One thing I wish to mention about 
me that I have very good background in classical MD, MC and polarizable 
classical MD, Free energy simulation methods.

I look forward to hear from you soon.

Best
Sudipta
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