benzen_structure_optimization
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benzen_structure_optimization [2009/11/24 15:11] jelen |
benzen_structure_optimization [2009/11/24 15:13] jelen |
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| - | {{:benzen:etot_benzen.png|}} | + | {{:benzen:etot_benzen.png?700|}} |
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| 1 -6.833808 -1.635777 -0.003761 | 1 -6.833808 -1.635777 -0.003761 | ||
| - | Each atomic configuration is recorded during the optimization procedure into the **''answer.xyz''** file. The history can be visualized by e.g. [[http://jmol.sourceforge.net/|Jmol]] program. | + | Each atomic configuration achieved during the optimization procedure is recorded into the **''answer.xyz''** file. The history can be visualized by e.g. [[http://jmol.sourceforge.net/|Jmol]] program. |
| - | {{:benzen:benzen_opt.png?200|benzene}} | + | {{:benzen:benzen_opt.png?700|benzene}} |
benzen_structure_optimization.txt ยท Last modified: 2018/03/08 15:44 (external edit)
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