Commit 662ed765 authored by Henning Janssen's avatar Henning Janssen

Correct units

parent 79a24440
......@@ -424,7 +424,7 @@ CONTAINS
IF(this%n.GT.0) THEN
IF(this%elup.GT.1.0) CALL juDFT_warn("Cutoff for the Greens function calculation should never be higher"//&
"than 1htr above efermi",calledby="read_xml_gfinp")
IF(this%elup.LT.this%ellow) CALL juDFT_error("Not a valid energy grid elup<ellow",calledby="read_xml_gfinp")
IF(this%elup.LE.this%ellow) CALL juDFT_error("Not a valid energy grid elup<ellow",calledby="read_xml_gfinp")
IF(ANY(this%elem(:this%n)%l.LT.2)) CALL juDFT_warn("Green's function for s and p orbitals not tested",&
calledby="read_xml_gfinp")
IF(ANY(this%elem(:this%n)%l.GT.3)) CALL juDFT_error("Green's function only implemented for l<=3",&
......
......@@ -80,7 +80,7 @@ MODULE m_greensfBZint
IF(natom.NE.natomp) THEN
phase = exp(ImagUnit*dot_product(kpts%bk(:,ikpt),gfinp%elem(i_gf)%atomDiff))
ELSE
phase = 1.0
phase = cmplx_1
ENDIF
!l-offdiagonal phase
......
......@@ -148,7 +148,7 @@ MODULE m_greensfTorgue
torgue = REAL(torgue_cmplx)
CALL timestop("Green's Function Torgue: Integration")
WRITE(oUnit,'(A,I4,A,3f14.8,A)') ' atom: ', atomType, ' torgue: ', torgue * hartree_to_ev_const, ' meV'
WRITE(oUnit,'(A,I4,A,3f14.8,A)') ' atom: ', atomType, ' torgue: ', torgue * hartree_to_ev_const * 1000, ' meV'
attributes = ''
WRITE(attributes(1),'(i0)') atomType
......
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