exercises:2019_conexs_newcastle:ex4
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exercises:2019_conexs_newcastle:ex4 [2019/09/11 12:52] – [Part 1: PDOS and spectra broadening of liquid water] abussy | exercises:2019_conexs_newcastle:ex4 [2019/09/11 12:54] – [Part 1: PDOS and spectra broadening of liquid water] abussy | ||
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< | < | ||
module load Anaconda3/ | module load Anaconda3/ | ||
+ | </ | ||
+ | and then typing | ||
+ | < | ||
+ | python pdos_conv.py | ||
</ | </ | ||
Note that you might have to change the parameters at the top of the file to get pleasing results. If a new window with the plot does not open, it is also saved in the current directory as " | Note that you might have to change the parameters at the top of the file to get pleasing results. If a new window with the plot does not open, it is also saved in the current directory as " |
exercises/2019_conexs_newcastle/ex4.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1