exercises:2017_uzh_cmest:band
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exercises:2017_uzh_cmest:band [2017/10/17 11:08] – jglan | exercises:2017_uzh_cmest:band [2017/10/17 11:11] – jglan | ||
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- | ======= Getting the band structure of graphene | + | ======= Getting the band structure of WO$_3$ Lattice |
In this exercise, you will carry out band structure calculation using K-point sampling for Cubic lattice WO3. The reference band structure you can find in [[http:// | In this exercise, you will carry out band structure calculation using K-point sampling for Cubic lattice WO3. The reference band structure you can find in [[http:// | ||
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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 plotted directly, you can use the script '' | + | To convert the band structure file to a file which can be plotted directly, you can use the script '' |
- | To plot the '' | + | To plot the '' |
< | < | ||
gnuplot> | gnuplot> |
exercises/2017_uzh_cmest/band.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1