Dear Siesta Users, I have problem in optimizing the Porphyrin structure (78 atoms). In my output file I got total forces and pressure as follows:
Tot: 0.001825 -0.028093 0.005261 Pressure: 0.03 -0.02 kbar and unrelaxed coordinates. Does it mean that my relaxation is incomplete? I look forward to your reply. Thanks.
