diff --git a/src/mp2grad.F90 b/src/mp2grad.F90 index ec18c9d..8163afa 100644 --- a/src/mp2grad.F90 +++ b/src/mp2grad.F90 @@ -211,7 +211,7 @@ subroutine calcgradrmp2(cmo,energymo,xint,egrad,nproc,myrank, & ! if(datacomp%master) then write(datacomp%iout,'(" -------------------------------------------------")') - write(datacomp%iout,'(" Energy (Hartree)")') + write(datacomp%iout,'(" Energy (Hartree)")') write(datacomp%iout,'(" -------------------------------------------------")') write(datacomp%iout,'(" HF Energy =",f17.9)')datamol%escf write(datacomp%iout,'(" MP2 Correlation Energy =",f17.9)')datamol%emp2