Commit 7e38721a authored by Henning Janssen's avatar Henning Janssen

Added missing allocation in j0.f90

parent f659e4a6
...@@ -83,6 +83,7 @@ MODULE m_j0 ...@@ -83,6 +83,7 @@ MODULE m_j0
matsize = (2*l+1) matsize = (2*l+1)
CALL delta%init(.false.,matsize,matsize) CALL delta%init(.false.,matsize,matsize)
CALL calc%init(.false.,matsize,matsize)
DO i = 1, matsize DO i = 1, matsize
delta%data_c(i,i) = exc_split(l) delta%data_c(i,i) = exc_split(l)
ENDDO ENDDO
...@@ -155,7 +156,7 @@ MODULE m_j0 ...@@ -155,7 +156,7 @@ MODULE m_j0
ENDIF ENDIF
CALL calc%free() IF(l_matinv) CALL calc%free()
ENDDO ENDDO
j0(l) = -1/(2.0*fpi_const)*hartree_to_ev_const * j0(l) j0(l) = -1/(2.0*fpi_const)*hartree_to_ev_const * j0(l)
...@@ -164,6 +165,7 @@ MODULE m_j0 ...@@ -164,6 +165,7 @@ MODULE m_j0
IF(atoms%j0(i_j0)%l_eDependence) CLOSE(unit=1337) IF(atoms%j0(i_j0)%l_eDependence) CLOSE(unit=1337)
CALL delta%free() CALL delta%free()
CALL calc%free()
ENDDO 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) 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 ENDDO
......
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