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Serious bug related to pseudo spin found #2

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kumkee opened this issue Jul 8, 2011 · 0 comments
Closed

Serious bug related to pseudo spin found #2

kumkee opened this issue Jul 8, 2011 · 0 comments

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@kumkee
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kumkee commented Jul 8, 2011

The eigenvalue problem solver sort the eigenvlues in ascending order, while the pseudo-spin states are designed to be at the endding block of the H matrix. This results an unintentional mixing with the normal pi-electron and pseudo-spin states.

Resolution:
Exclude the pseudo-spin states from the Hamiltonian matrix.
@kumkee kumkee closed this as completed Jul 18, 2011
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