Bug in the function "Band_DFT_MO_NonCol" in every version |
- Date: 2009/06/04 23:01
- Name: Jeong
- The function "Band_DFT_MO_NonCol" performs outputing HOMO, LUMO, LCAO coefficients
at various k-points in non-collinear DFT calculations.
The part "LCAO coefficient" does wrong behaviors.
This is due to
the wrong range of the loop "for (kloop=0; kloop<nkpoint; kloop++) { ... }"
This loop ends before writing "???.EV" files, which should be extended to include this part as like the collinear routine.
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