<div dir="ltr">Dear Users<div> How can I ascertain that my simulation is completed (vc-relax)? I have set energy convergence criterion to 1*e-6. But after looking at energy values it doesn't seem to be achieved yet my simulation is completed without any error message. Any help will be appreciated.</div><div><br></div><div><div>number of scf cycles    =   35</div><div>number of bfgs steps    =   33</div></div><div><br></div><div><font color="#ff9900">Output energy values</font></div><div><div><font color="#ff9900">!    total energy              =    -789.39365574 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.49177968 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.62197736 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.70070336 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.76165454 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.79820295 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.81420194 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.83369878 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.85088108 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.86373707 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.87746512 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.88620742 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.89540658 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.90169502 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.90688767 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.91152422 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.91704561 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.92033481 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.92335468 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.92625503 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.92912462 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.93152571 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.93323497 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.93455816 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.93582650 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.93711389 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.93869077 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.94157723 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.94706606 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.94208274 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.94816198 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.94943496 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.95109732 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.95290316 Ry</font></div><div><font color="#ff9900">!    total energy              =    -789.95488501 Ry</font></div></div><div><br></div><div>Thanks </div><div>Rajesh</div><div><br></div></div>