Commit 6f0eff63 authored by S.Rost's avatar S.Rost

correction to index in unfolding band

parent b04af6c5
......@@ -231,10 +231,9 @@ CONTAINS
END DO
ELSE
DO j=1,lapw%nv(jsp)
l=j
IF ((modulo(lapw%gvec(1,l,jsp),banddos%s_cell_x)==0).AND.&
&(modulo(lapw%gvec(2,l,jsp),banddos%s_cell_y)==0).AND.&
&(modulo(lapw%gvec(3,l,jsp),banddos%s_cell_z)==0)) THEN
IF ((modulo(lapw%gvec(1,j,jsp),banddos%s_cell_x)==0).AND.&
&(modulo(lapw%gvec(2,j,jsp),banddos%s_cell_y)==0).AND.&
&(modulo(lapw%gvec(3,j,jsp),banddos%s_cell_z)==0)) THEN
DO k=1,lapw%nv(jsp)
IF (zmat%l_real) THEN
w_n(i)=w_n(i)+zMat%data_r(j,i)*zMat%data_r(k,i)*smat_unfold%data_r(j,k)
......
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