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howto:cdft [2018/07/24 05:38] – Update to CP2K 6.1 nholmberhowto:cdft [2018/11/01 08:45] – [Using the CDFT module] nholmber
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 ===== Using the CDFT module ===== ===== Using the CDFT module =====
  
-The input sections [[inp>FORCE_EVAL/DFT/QS/CDFT]] and [[inp>FORCE_EVAL/DFT/QS/BECKE_CONSTRAINT]] are used for setting up a CDFT simulation. A brief description of these sections will be given in the next two subsections. Subsequently, various aspects of running CDFT simulations will be explored through example calculations.+The input section [[inp>FORCE_EVAL/DFT/QS/CDFT]] is used to set up a CDFT simulation. A brief description of this input section will be given in the next two subsections. Subsequently, various aspects of running CDFT simulations will be explored through example calculations.
  
 ==== Defining CDFT SCF parameters  ===== ==== Defining CDFT SCF parameters  =====
howto/cdft.txt · Last modified: 2024/01/03 13:20 by oschuett