benzen_eigenvalues
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| Both sides previous revision Previous revision Next revision | Previous revision | ||
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benzen_eigenvalues [2011/02/18 13:13] 127.0.0.1 external edit |
benzen_eigenvalues [2017/03/06 14:55] (current) |
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| iewform = 1 ! individual levels listed bellow will be plotted in separated files | iewform = 1 ! individual levels listed bellow will be plotted in separated files | ||
| npbands = 2 ! number of molecular levels to be plotted | npbands = 2 ! number of molecular levels to be plotted | ||
| - | pbands =36,37 ! list of molecular levels to be plotted | + | pbands =15,16 ! list of molecular levels to be plotted |
| &END | &END | ||
| </code> | </code> | ||
| Line 140: | Line 140: | ||
| {{:benzen:benzen_lumo.png|LUMO benzen}} | {{:benzen:benzen_lumo.png|LUMO benzen}} | ||
| + | |||
| + | <code> | ||
| + | &MESH | ||
| + | iewform = 2 ! sum density in energy window | ||
| + | ewfewin_min = -8.16 ! lower energy bound | ||
| + | ewfewin_max = -2.16 ! lower energy bound | ||
| + | &END | ||
| + | </code> | ||
benzen_eigenvalues.1298031180.txt.gz ยท Last modified: 2013/10/23 11:02 (external edit)
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