CP2K Open Source Molecular Dynamics

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howto:cp2k_omen [2019/01/13 11:23] – oschuetthowto:cp2k_omen [2020/01/23 11:31] – oschuett
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 ====== How to perform DFT+NEGF transport calculations with CP2K and OMEN ====== ====== How to perform DFT+NEGF transport calculations with CP2K and OMEN ======
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 +<note warning>Unfortunately, OMEN+CP2K never made it past the prototype stage. 
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 +Please use our actively maintained [[inp>NEGF]] implementation instead.</note>
  
 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. 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.
howto/cp2k_omen.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1