<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Dear Henrique Junior, <div class=""><br class=""></div><div class="">no, range constraints are not possible. </div><div class="">Beside that I don’t see the point in using </div><div class="">them, optimization in conjunction with range </div><div class="">constraints is often rather involved and not </div><div class="">as easy as it looks at first sight. </div><div class=""><br class=""></div><div class="">Best, </div><div class="">Thomas Kühne</div><div class=""><br class=""><div><blockquote type="cite" class=""><div class="">Am 26.08.2017 um 23:38 schrieb Henrique Junior <<a href="mailto:henri...@gmail.com" class="">henri...@gmail.com</a>>:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><div class="">Dear colleagues,</div><div class="">I’m new to CP2K and I’m going to perform a geometric optimization in my crystalline structure (to calculate vibrational frequencies, also using CP2K). In my geometric optimization, I need to, also, optimize the size of my unitary cell BUT I’d like to specify a range in which the cell is allowed to expand (or contract, of course). Is this possible? Can someone point me to any example?</div><div class=""><br class=""></div><div class="">Thank you for any help.</div></div><div class=""><br class="webkit-block-placeholder"></div>
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