Commit 41ddb56d authored by Gregor Michalicek's avatar Gregor Michalicek

Bug fixes in hybrid/symmetrizeh.F90 related to LOs

1. Provide related G vector for each LO. Note: hybdat%kveclo_eig
is not properly initialized. It should be replaced by lapw%kvec
everywhere.

2. Remove timer for subroutine harmonicsr. There was a return between
the starting and the stopping of the timer. This broke the timer
hierarchy.
parent 51014711
......@@ -242,7 +242,7 @@ CONTAINS
ilotot = ilotot + 1
l_lo(ilotot) = l
itype_lo(ilotot) = itype
gpt_lo(:, ilotot) = lapw%gvec(:, kveclo(ilotot), jsp)
gpt_lo(:, ilotot) = lapw%gvec(:, lapw%kvec(m,ilo,iatom), jsp)
END DO
END DO
END IF
......@@ -553,7 +553,6 @@ CONTAINS
COMPLEX :: c
COMPLEX, PARAMETER :: img = (0.0, 1.0)
call timestart("symm harmonics")
Y(1) = 0.282094791773878
IF (ll == 0) RETURN
......@@ -601,7 +600,6 @@ CONTAINS
Y(lm) = SQRT((2.0*l + 1)/(l + m)/(l - m))*(SQRT(2.0*l - 1)*ctheta*Y(lm - 2*l) - SQRT((l + m - 1.0)*(l - m - 1)/(2*l - 3))*Y(lm - 4*l + 2))
END DO
END DO
call timestop("symm harmonics")
END SUBROUTINE harmonicsr
END SUBROUTINE symmetrizeh
......
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