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calculate_u-function [2012/11/07 13:32] vlada |
calculate_u-function [2012/11/07 13:38] vlada |
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22 | 22 | ||
</code> | </code> | ||
- | + | As an output file you get u_func.dat file where is written the number of selected orbital in the first column and in the second one are u values. | |
+ | <code> | ||
+ | 6 2.1590 | ||
+ | 7 2.3341 | ||
+ | 8 1.9742 | ||
+ | 10 1.9721 | ||
+ | 22 1.4045 | ||
+ | </code> |