<div dir="ltr">Dear Maxim, if you want to fix the cell angles and cell parameter during a geometry optimization. So, do you want optimize only the atomic positions? In this case, try to perform relax calculation (calculation = 'relax') and not vc-relax <div><br></div><div>Best</div><div><br></div><div>Arles V. Gil Rebaza</div><div>Instituto de Física La Plata</div><div>La Plata - Argentina</div></div><div class="gmail_extra"><br><div class="gmail_quote">2017-09-01 8:56 GMT-03:00 Maxim Arsentev <span dir="ltr"><<a href="mailto:arsentev@isc.nw.ru" target="_blank">arsentev@isc.nw.ru</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
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<p>Dear users and developers,</p>
<p>I need fix cell angle and cell parameter during geometry
optimization,</p>
<p>i analyzed cell dofree and not found needed variables.<br>
</p>
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Maxim Arsent'ev, Ph.D. (Chemistry)</div>
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