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Dear QE users,<br>
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I am relaxing a molecule in QE. I have used a vacuum distance of 13A in all directions and the flag assume_isolated='martyna-tuckerman'. I have also added the Van der Waals corrections.<br>
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Other than endless fluctuations in the forces, the molecule got distorted and some atoms "flew away" after a few steps of relaxation.</div>
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Any thoughts of how to remedy this situation?</div>
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Regards <br>
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Elie Moujaes</div>
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Adjunct professor</div>
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Federal University of Rondonia</div>
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Porto Velho</div>
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Brazil<br>
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