Commit e9f9a1ea authored by Uliana Alekseeva's avatar Uliana Alekseeva

The start and the end of the loop added in pwint

parent cbf3c4d5
......@@ -88,7 +88,7 @@ CONTAINS
ELSE
qis = 0.
CALL pwint_all(stars,atoms,sym,oneD,cell,x)
CALL pwint_all(stars,atoms,sym,oneD,cell,1,stars%ng3,x)
DO j = 1,stars%ng3
qis = qis + den%pw(j,jspin)*x(j)*stars%nstr(j)
ENDDO
......
......@@ -122,7 +122,7 @@
END SUBROUTINE pwint
SUBROUTINE pwint_all(&
& stars,atoms,sym,oneD,&
& cell,&
& cell,x_start,x_end,&
& x)
USE m_spgrot
......@@ -138,6 +138,7 @@
TYPE(t_sym),INTENT(IN) :: sym
TYPE(t_oneD),INTENT(IN) :: oneD
TYPE(t_cell),INTENT(IN) :: cell
INTEGER, INTENT (IN) :: x_start,x_end
COMPLEX, INTENT (OUT):: x(:)
! ..
!-odim
......@@ -159,7 +160,7 @@
!$OMP PARALLEL DO default(shared) &
!$OMP PRIVATE(ng,ig3d,g,gr,fj,ig2d,s,na,kr,ph,n)&
!$OMP PRIVATE(srmt,nn,sfs,arg,s1,ii)
starloop:DO ng=1,size(x)
starloop:DO ng=x_start,x_end
ig3d = stars%ig(stars%kv3(1,ng),stars%kv3(2,ng),stars%kv3(3,ng))
IF (ig3d.EQ.0) THEN
x(ng) = (0.,0.)
......
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