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Hi Prof Blaha,<br><br> I optimized a slab using mini and it worked fine (forces on atoms were reasonably small) . <br>But when I used the optimized structure from mini calculations and run scf calculations (with <br>energy and charge convergence) the forces on atoms increases even after energy is converged. <br>So my questions are:<br><br>1. why forces increases even though I am using exactly the same structure from mini calculations?<br><br>2. how does it effect the calculated properties such as DOS, magnetic moments? I mean should I<br> trust these numbers that I have calculated from scf calculations?<br><br>I have tried looking for the answer in the mailing list but unfortunately I couldn't find one. I would<br>appreciate any comment from you.<br><br><br>Thanks,<br>Fhokrul<br><br> </div></body>
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