Differences

This shows you the differences between two versions of the page.

--- howto:cp2k_omen [2020/02/13 00:09] – [References] hbani
+++ howto:cp2k_omen [2020/02/15 17:23] – [How to perform DFT+NEGF transport calculations with CP2K and OMEN] hbani
@@ Line 3: / Line 3: @@
 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 project's [[https://github.com/saschabrueck/dft-transport|Github page]]:
 <code> > git clone https://github.com/saschabrueck/dft-transport.git</code>
-For convenience, an installer script is distributed with the source code that installs CP2K-OMEN together with all the solvers/libraries that may be employed for calculations.
+For convenience, an installer script is distributed with the source code that installs CP2K-OMEN together with all the solvers/libraries that may be employed for calculations. In case manual installation is desired, the script is well-documented with the steps that are needed to be taken.
 ===== Compile and Run =====
 In order to compile CP2K-OMEN, follow the following steps: