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  Tutorials::QM/MM  

Tutorials of the deMon2k code   


Tutorial 1:
Hands-on Density-Functional Theory Workbook Using the Freely Downloadable Serial Version of deMon2k

 

Purpose of the tutorial:

    This workbook provides a practical teaching tool aimed at students at the Masters or advanced undergraduate level. (It has been profitably used by a third year undergraduate.) Our objective is that it be free, can be used with a student's own personal computer, and would complement formal course work. It contains a number of exercises (and answers) intended to stimulate student curiosity and is expected to constitute a useful step towards research-level problems.

The pdf file of the is available here.


 
  • Any question about the tutorials of deMon2k should be emailed to: demon2k-l@mailman.ucalgary.ca
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      Last Update: 11th November 2022 Webmaster