exercises:2017_uzh_cmest:band
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exercises:2017_uzh_cmest:band [2017/10/17 10:59] – jglan | exercises:2017_uzh_cmest:band [2017/10/17 11:03] – jglan | ||
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* How many orbital energies do you get and why? Try to change the input to get more unoccupied orbitals. | * How many orbital energies do you get and why? Try to change the input to get more unoccupied orbitals. | ||
- | To convert the band structure file to a file which can be loaded | + | To convert the band structure file to a file which can be plotted |
+ | |||
+ | To plot the '' | ||
<file python cp2k_bs2csv.py> | <file python cp2k_bs2csv.py> |
exercises/2017_uzh_cmest/band.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1