Commit da87e837 authored by Matthias Redies's avatar Matthias Redies

remove M

parent d197bb14
......@@ -835,6 +835,7 @@ CONTAINS
structconst1(ic1, :) = structconst(:, ic1, ic2, ikpt)
END DO
DO l2 = 0, hybrid%lexp
! !$OMP PARALLEL DO PRIVATE(m2, lm2, cdum, lm1, l1, l)
DO m2 = -l2, l2
lm2 = l2**2 + (m2+l2) +1 ! lm2 = lm2+1 as analytic sum
cdum = (-1)**(l2+m2)*sphbesmoment(l2, itype2, iqnrm2)*cexp*carr2a(lm2, igpt2)
......@@ -842,11 +843,9 @@ CONTAINS
lm1 = 0
DO l1 = 0, hybrid%lexp
l = l1 + l2
M = -l1 - m2 !first loop of m1
lm = l**2 + l + M
DO m1 = -l1, l1
lm1 = l1**2 + (m1+l1)+1 ! lm1 = lm1+1 as ana-sum
lm = l**2 + l + M + (m1+l1) + 1
lm = l**2 + l -l1 - m2 + (m1+l1) + 1
cdum1 = cdum*gmat(lm1, lm2)
DO ic1 = 1, atoms%nat
carr2(ic1, lm1) = carr2(ic1, lm1) + cdum1*structconst1(ic1, lm)
......
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