exercises:2015_ethz_mmm:simple_stm
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| exercises:2015_ethz_mmm:simple_stm [2015/05/29 15:22] – pshinde | exercises:2015_ethz_mmm:simple_stm [2015/05/29 15:23] – pshinde | ||
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| - | There will be an output file with the unoccupied energy levels and the last **EIG** file with occupied energy levels. | + | There will be an output file with the unoccupied energy levels and the last "**EIG**" |
| To plot the energy level diagram, copy and paste following lines into the python script **eldplot.py**. The file **energy.dat** contains energy eigenvalues (in a.u.) in a column from the output file at the previous step. The Fermi energy (**Ef** in a.u.) must be entered in the **eldplot.py** script. Use command **python eldplot.py** to get the energy level diagram as a png image. Identify the occupied and unoccupied energy levels and name them. Feel free to change the png image names. | To plot the energy level diagram, copy and paste following lines into the python script **eldplot.py**. The file **energy.dat** contains energy eigenvalues (in a.u.) in a column from the output file at the previous step. The Fermi energy (**Ef** in a.u.) must be entered in the **eldplot.py** script. Use command **python eldplot.py** to get the energy level diagram as a png image. Identify the occupied and unoccupied energy levels and name them. Feel free to change the png image names. | ||
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exercises/2015_ethz_mmm/simple_stm.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1