[Wien] source code question : hamilt.F

Alessandro Mirone mirone at esrf.fr
Tue Sep 5 12:26:36 CEST 2006


I try to answer myself :
 is it because the output of lapw0 is conjugated ?

         DO j=1,nkk
            WRITE(itapn,2071) (kzz(jx,j),jx=1,3), CONJG(cvalue(j))
         ENDDO

this would explain also why in setwar taup is conjugated too.
This  makes things coherent althought it is not yet clear to me why potk
in lapw1 is the conjugated of potk in lapw0, may be historical reasons.


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