exercises:2016_ethz_mmm:simple_stm
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| exercises:2016_ethz_mmm:simple_stm [2016/05/20 08:14] – [1. Task: Running the job and looking at the orbitals] pshinde | exercises:2016_ethz_mmm:simple_stm [2016/05/20 08:20] – [1. Task: Running the job and looking at the orbitals] pshinde | ||
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| - Draw the energy level diagram for the two molecules. What is the energy gap in the two cases? What are the differences? | - Draw the energy level diagram for the two molecules. What is the energy gap in the two cases? What are the differences? | ||
| - | - Look with vmd at the cube files (" | + | - Look with vmd the WFN cube files corresponding to the most interesting levels (close to the Fermi energy). Use command e.g. vmd -e orbitals.vmd 2H-WFN_00094_1-1_0.cube |
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exercises/2016_ethz_mmm/simple_stm.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1