diff --git a/greensf/j0.f90 b/greensf/j0.f90 index f4a8dfc141987741bd62d71fe39c9d49e59d7cf2..c3486ee0c24b7fe7399348fffab596250d233ea4 100644 --- a/greensf/j0.f90 +++ b/greensf/j0.f90 @@ -83,6 +83,7 @@ MODULE m_j0 matsize = (2*l+1) CALL delta%init(.false.,matsize,matsize) + CALL calc%init(.false.,matsize,matsize) DO i = 1, matsize delta%data_c(i,i) = exc_split(l) ENDDO @@ -155,7 +156,7 @@ MODULE m_j0 ENDIF - CALL calc%free() + IF(l_matinv) CALL calc%free() ENDDO j0(l) = -1/(2.0*fpi_const)*hartree_to_ev_const * j0(l) @@ -164,6 +165,7 @@ MODULE m_j0 IF(atoms%j0(i_j0)%l_eDependence) CLOSE(unit=1337) CALL delta%free() + CALL calc%free() ENDDO WRITE(6,9050) SUM(j0(l_min:l_max)), ABS(SUM(j0(l_min:l_max)))*2/3 * 1/(boltzmannConst*hartree_to_ev_const) ENDDO