exercises:2017_uzh_cmest:band
Differences
This shows you the differences between two versions of the page.
Both sides previous revisionPrevious revisionNext revision | Previous revisionNext revisionBoth sides next revision | ||
exercises:2017_uzh_cmest:band [2017/10/17 10:52] – jglan | exercises:2017_uzh_cmest:band [2017/10/17 11:08] – jglan | ||
---|---|---|---|
Line 72: | Line 72: | ||
| | ||
| | ||
- | | + | |
&END | &END | ||
& | & | ||
Line 151: | Line 151: | ||
Your tasks: | Your tasks: | ||
- | * Lookup the special points for the $\Gamma$, $X$,$M$,$\Gamma$,$R$,$M$ points in the [[http:// | + | * Lookup the special points for the $\Gamma$, $X$,$M$,$R$ points in the [[http:// |
* Compare your plot with plots from literature. What is different? | * Compare your plot with plots from literature. What is different? | ||
- | * Why do you get 8 orbital energies? Try to change the input to get more unoccupied orbitals. | + | * How many orbital energies |
- | 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 '' | ||
+ | < | ||
+ | gnuplot> | ||
+ | </ | ||
<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