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Just some cleanings 

P.U.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@2373 c92efa57-630b-4861-b058-cf58834340f0
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umari 2005-10-26 00:37:36 +00:00
parent adca04daee
commit b8c0ba2b63
1 changed files with 0 additions and 49 deletions
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49
CPV/electrons.f90
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@ -646,55 +646,6 @@
LOGICAL, SAVE :: lprimo
INTEGER :: i
if( tens .and. ( ismear == -1) ) then ! in questo caso stampa elementi matrice dipolo
call rotate( z0, c0(:,:,1,1), bec, c0diag, becdiag )
lprimo = .false.
do i = 1, n
if(f(i) .ne. 1) then
c0diag(:,i) = (0.d0,0.d0)
becdiag(:,i) = 0.d0
else if(lprimo) then
c0diag(:,i) = (0.d0,0.d0)
becdiag(:,i) = 0.d0
else
lprimo=.true.
end if
enddo
call rhoofr(nfi,c0diag,irb,eigrb,becdiag,rhovan,rhor,rhog,rhos,enl,ekin)
allocate(rhodip(nnr,nspin))
call rotate(z0,c0(:,:,1,1),bec,c0diag,becdiag)
lprimo=.true.
do i=1,n
if(f(i) .ne. 1) then
c0diag(:,i) = (0.d0,0.d0)
becdiag(:,i) = 0.d0
else if(lprimo) then
c0diag(:,i) = (0.d0,0.d0)
becdiag(:,i) = 0.d0
lprimo=.false.
endif
enddo
call rhoofr(nfi,c0diag,irb,eigrb,becdiag,rhovan,rhodip,rhog,rhos,enl,ekin)
rhor(:,:)=sqrt(rhor(:,:))*sqrt(rhodip(:,:))
deallocate(rhodip)
call dipol_matrix(tau0,h,rhor, dipol)
write(stdout,*) 'ELEMENTI DI DIPOLO :'
do i=1,3
write(stdout,*) dipol(i)
enddo
write(stdout,*) '--------------------------'
endif
if(.not.tens) then
call eigs0(nspin,nx,nupdwn,iupdwn,f,lambda)