diff --git a/Source/Fortran/FermiOperatorModule.F90 b/Source/Fortran/FermiOperatorModule.F90 index 869de65c..b43d6f0b 100644 --- a/Source/Fortran/FermiOperatorModule.F90 +++ b/Source/Fortran/FermiOperatorModule.F90 @@ -156,7 +156,7 @@ SUBROUTINE ComputeDenseFOE(H, ISQ, trace, K, inv_temp_in, & energy_value = energy_value + tlist%DATA(II)%point_value tlist%DATA(II)%point_value = 1.0_NTREAL ELSE IF (tlist%DATA(II)%index_column .EQ. CEILING(trace)) THEN - occ_temp = CEILING(trace) - trace + occ_temp = trace - FLOOR(trace) energy_value = energy_value + & & occ_temp * tlist%DATA(II)%point_value tlist%DATA(II)%point_value = occ_temp