diff --git a/src/ao_two_e_ints/map_integrals.irp.f b/src/ao_two_e_ints/map_integrals.irp.f index 4c30c4df..40c35644 100644 --- a/src/ao_two_e_ints/map_integrals.irp.f +++ b/src/ao_two_e_ints/map_integrals.irp.f @@ -346,12 +346,22 @@ subroutine ao_two_e_integral_periodic_map_idx_sign(i,j,k,l,use_map1,idx,sign) sign=-1.d0 use_map1=.True. endif - else if (iltk.eqv.ikltjl) then - sign=1.d0 - use_map1=.False. + else if (iltk.eqv.jltl) then + if (iltk) then + sign=1.d0 + use_map1=.True. + else + sign=-1.d0 + use_map1=.True. + endif else - sign=-1.d0 - use_map1=.False. + if (jltl.eqv.ikltjl) then + sign=1.d0 + use_map1=.False. + else + sign=-1.d0 + use_map1=.False. + endif endif endif end