exercises:2017_ethz_mmm:bands_1
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_ethz_mmm:bands_1 [2017/05/10 11:25] – dpasserone | exercises:2017_ethz_mmm:bands_1 [2017/05/11 15:19] – dpasserone | ||
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[[https:// | [[https:// | ||
- | all data necessary | + | all data necessary |
</ | </ | ||
Line 44: | Line 44: | ||
modify the python script hfo2.py according to your needs. | modify the python script hfo2.py according to your needs. | ||
- | Execution of the python script will open ASE visualizer showing you the structure, | + | (replace " |
+ | |||
+ | Execution of the python script | ||
+ | < | ||
+ | python hfo2.py | ||
+ | </ | ||
+ | |||
+ | will open the ASE visualizer showing you the structure, | ||
will produce the file hfo2.xyz, hfo2.png and hfo2.pov | will produce the file hfo2.xyz, hfo2.png and hfo2.pov | ||
Line 55: | Line 62: | ||
<note warning> | <note warning> | ||
-how many atoms are contained in the unit cell? | -how many atoms are contained in the unit cell? | ||
+ | |||
-compute the volume of the unit cell | -compute the volume of the unit cell | ||
</ | </ |
exercises/2017_ethz_mmm/bands_1.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1