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howto:cp2k_omen [2020/02/13 17:30] – [How to perform DFT+NEGF transport calculations with CP2K and OMEN] hbanihowto:cp2k_omen [2020/02/15 17:35] – [How to perform DFT+NEGF transport calculations with CP2K and OMEN] hbani
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 This tutorial aims at providing a guide on how to run first-principles quantum transport calculations using CP2K and [[http://www.nano-tcad.ethz.ch/|OMEN]], an NEGF / tight-binding based quantum transport simulator. CP2K-OMEN is particularly suitable for large-scale calculations of systems consisting of several thousands of atoms [1]. See [2-4] for more information on the algorithms. This tutorial aims at providing a guide on how to run first-principles quantum transport calculations using CP2K and [[http://www.nano-tcad.ethz.ch/|OMEN]], an NEGF / tight-binding based quantum transport simulator. CP2K-OMEN is particularly suitable for large-scale calculations of systems consisting of several thousands of atoms [1]. See [2-4] for more information on the algorithms.
  
-To perform transport simulations, the latest version of OMEN that is integrated with CP2K needs to be installed on your local machine. The integration has been made in a plugin manner [3]. The code can be obtained via the project's Github page:+To perform transport simulations, the latest version of OMEN that is integrated with CP2K needs to be installed on your local machine. The integration has been made in a plugin manner [3]. The code can be obtained via the  [[https://github.com/saschabrueck/dft-transport|project's Github page]]:
 <code> > git clone https://github.com/saschabrueck/dft-transport.git</code> <code> > git clone https://github.com/saschabrueck/dft-transport.git</code>
  
howto/cp2k_omen.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1