[Pw_forum] Projection?

[Hong, SamPyo]

Hi,

I have a simple question about projection.

As far as I know, before doing projection of each |phi_i> to |evc>, we
should have a set of the orthogonized wavefunctions i.e, <phi_i|S|phi_j>
= 0 if i&j are different.  For example, in the following routine, 

if we replace 

               temp = ZDOTC(npw,swfcatom(1,i),1,evc(1,ibnd),1)
by
               temp = ZDOTC(npw,swfcatom(1,i),1,wfcatom(1,i),1)

Then, temp must be zero. However, it seems not to be true. Why is that?

---------------PWSCF 1.03
projwave.F----------------------------------------
c
c make the projection
c
         do ibnd = 1, nbnd
            psum = 0.d0
            do i=1,natomwfc
               temp = ZDOTC(npw,swfcatom(1,i),1,evc(1,ibnd),1)
               work(i,1) = temp
            enddo
#ifdef PARA
            call reduce(2*natomwfc,work)
#endif
C
------------------------------------------------------------------------
----

Thanks,


Sampyo