Difference between revisions of "Normal mode analysis HEXA"
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We took the first five models (7, 8, 9, 10, 11). |
We took the first five models (7, 8, 9, 10, 11). |
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+ | Here you can see the normalized squared atomic displacments of our models: |
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+ | {| border="1" style="text-align:center; border-spacing:0;" |
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+ | |model 7 |
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+ | |model 8 |
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+ | |model 9 |
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+ | |model 10 |
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+ | |model 11 |
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+ | |- |
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+ | |[[Image:webnma_model7.png|thumb|150px|normalized squared atomic displacments of model 7]] |
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+ | |[[Image:webnma_model8.png|thumb|150px|normalized squared atomic displacments of model 8]] |
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+ | |[[Image:webnma_model9.png|thumb|150px|normalized squared atomic displacments of model 9]] |
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+ | |[[Image:webnma_model10.png|thumb|150px|normalized squared atomic displacments of model 10]] |
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+ | |[[Image:webnma_model11.png|thumb|150px|normalized squared atomic displacments of model 11]] |
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+ | |- |
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+ | |} |
Revision as of 10:25, 14 July 2011
Normal mode analysis
Webnma
General information
Results
We analysed the five models with the lowest energy values. Webnma calculates fourteen different models with following energy values:
Mode Index | Deformation Energy |
7 | 1041.88 |
8 | 1318.21 |
9 | 1738.30 |
10 | 2841.31 |
11 | 3135.09 |
12 | 4100.18 |
13 | 3911.06 |
14 | 5337.50 |
15 | 5741.69 |
16 | 6513.85 |
17 | 6081.05 |
18 | 6882.96 |
19 | 7514.14 |
20 | 7943.67 |
We took the first five models (7, 8, 9, 10, 11).
Here you can see the normalized squared atomic displacments of our models:
model 7 | model 8 | model 9 | model 10 | model 11 |