ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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#include <overlap_new.h>
Public Member Functions | |
void | contributeHk (int ik) |
The OverlapNew class template inherits from class T it is used to calculate the overlap of wavefunction basis Template parameters:
void hamilt::OverlapNew< TK, TR >::contributeHk | ( | int | ik | ) |
if k vector is not changed, then do nothing and return, only for gamma_only case
set SK to zero and then calculate SK for each k vector