Commit bb7c1831 authored by Gregor Michalicek's avatar Gregor Michalicek

Fix calculation of exch array in hybrid/add_Vnonlocal.F90

The calculation required the whole v_x array as input but we
only had one triangle.
parent 7bf0e010
......@@ -87,8 +87,10 @@ CONTAINS
DO nn = 1, n
IF (hmat%l_real) THEN
hmat%data_r(nn, n) = hmat%data_r(nn, n) - a_ex*v_x%data_r(nn, n)
v_x%data_r(n, nn) = v_x%data_r(nn, n)
ELSE
hmat%data_c(nn, n) = hmat%data_c(nn, n) - a_ex*v_x%data_c(nn, n)
v_x%data_c(n, nn) = CONJG(v_x%data_c(nn, n))
ENDIF
END DO
END DO
......
  • @micha Why do we need the second triangle in the Hamiltonian, I do not believe we calculate this part in other contributions?

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