example:electronic_structure_analysis
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example:electronic_structure_analysis [2011/02/18 13:13] (current) |
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| - | Real-space densities of individual molecular levels are stored in '''bandplot_XXXX.xsf''' files, where ''XXXX'' means number of given molecular orbital. These files are stored in an internal format of visualization program [http://www.xcrysden.org XCrysden]. | + | Real-space densities of individual molecular levels are stored in ''bandplot_XXXX.xsf'' files, where ''XXXX'' means number of given molecular orbital. These files are stored in an internal format of visualization program [http://www.xcrysden.org XCrysden]. |
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| + | real density of state of the HOMO molecular state \\ | ||
| - | real density of state of the HOMO molecular state <br\> | ||
| - | [[Image:HOMO.png]]<br\> | ||
| - | real density of state of the LUMO molecular state <br\> | ||
| - | [[Image:LUMO.png]]<br\> | ||
example/electronic_structure_analysis.1257586328.txt.gz · Last modified: 2011/02/18 13:14 (external edit)
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