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<body class='hmmessage'><div dir='ltr'>Hello all,<div><br></div><div>I have done an scf calculation on a structure and obtained that the pressure is -16Kbar. I tried to relax it using 'vc-relax' requiring that the pressure be 0.0. I was able to get the new coordinates of the atoms (lattice constant did not change!) and the pressure was -0.01 KB....However when I did an scf calculation again with the new coordinates, I have noticed that the pressure was still -16Kbar. Why is that happening and how can I circumvent this?</div><div><br></div><div>thanks</div><div><br></div><div>Elio Nahdan</div><div><br></div><div><br></div> </div></body>
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