howto:cp2k_omen
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howto:cp2k_omen [2017/09/29 10:45] – [How to perform DFT+NEGF transport calculations with CP2K and OMEN] hbani | howto:cp2k_omen [2019/01/13 11:23] – oschuett | ||
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This tutorial aims at providing a guide on how to run first-principles quantum transport calculations using CP2K and [[http:// | This tutorial aims at providing a guide on how to run first-principles quantum transport calculations using CP2K and [[http:// | ||
- | To perform transport simulations, | + | To perform transport simulations, |
- | < | + | < |
- | For convenience, | + | For convenience, |
===== Compile and Run ===== | ===== Compile and Run ===== | ||
In order to compile CP2K-OMEN, follow the following steps: | In order to compile CP2K-OMEN, follow the following steps: |
howto/cp2k_omen.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1