howto:cp2k_omen
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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> | ||
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+ | Please use our actively maintained [[inp> | ||
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, |
howto/cp2k_omen.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1