calculate_u-function
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calculate_u-function [2012/11/07 12:15] vlada |
calculate_u-function [2012/11/07 16:57] |
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| - | ===== U - function ===== | ||
| - | This page shows how to calculate U - function to correct the gap of molecules. | ||
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| - | </code> | ||
| - | 14 ! number of el | ||
| - | 5 ! number of orbitals | ||
| - | 6 | ||
| - | 7 | ||
| - | 8 | ||
| - | 10 | ||
| - | 22 | ||
| - | </code> | ||
calculate_u-function.txt ยท Last modified: 2012/11/07 16:57 (external edit)
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