<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">Dear Manu, <div class=""><br class=""></div><div class="">yes cell and geometry or optimized concurrently. </div><div class=""><br class=""></div><div class="">Cheers, </div><div class="">Thomas<br class=""><div><br class=""><blockquote type="cite" class=""><div class="">Am 19.10.2020 um 00:36 schrieb Monu Joy <<a href="mailto:jo...@clarkson.edu" class="">jo...@clarkson.edu</a>>:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><div dir="ltr" class="">Hi there</div><div dir="ltr" class=""><br class=""></div><div dir="ltr" class="">I am relatively new in CP2K and I have a quick question regarding CELL_OPT. If I run a CELL_OPT, does it mean that the cell and geometry are getting optimized or just the cell is getting optimized...?</div><div dir="ltr" class=""><br class=""></div><div class="">-Monu</div><div class=""><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr" class=""><div dir="ltr" class=""><div dir="ltr" class=""><div dir="ltr" class=""><div dir="ltr" class=""><div style="font-size: small; letter-spacing: normal;" class=""><div style="font-family:verdana,helvetica,sans-serif;font-size:13px" class=""><div style="font-size:small" class=""><font face="verdana, helvetica, sans-serif" size="2" class="">======================================<br class="">Monu Joy</font></div><div style="font-size:small" class=""><font face="verdana, helvetica, sans-serif" size="2" class="">Graduate Student & Teaching Assistant<br class=""><div style="font-family:Helvetica,Arial,sans-serif;margin-top:5px" class=""><i class="">Functional Materials Design & X-ray Diffraction Lab (Office: CAMP 328)</i><br clear="none" class=""></div><div style="font-family:Helvetica,Arial,sans-serif;margin-top:5px" class="">Department of Chemistry & Biomolecular Science, Box 5814<br clear="none" class="">Clarkson University, Potsdam, NY 13699, USA</div></font></div><div dir="ltr" style="font-size:small" class=""><font face="verdana, helvetica, sans-serif" size="2" class=""><br class="">E-mail: <a href="mailto:jo...@clarkson.edu" target="_blank" class="">jo...@clarkson.edu</a> | Mob: +1 (315) 323-4313<br class=""></font></div></div><div style="font-family:verdana,helvetica,sans-serif;font-size:13px" class=""><a href="https://www.sites.google.com/site/mycrystchem/contact-me?authuser=0" rel="nofollow" style="color:rgb(25,106,212)" target="_blank" class="">Web Page</a></div><div style="font-family:verdana,helvetica,sans-serif;font-size:13px" class="">======================================<br class=""></div></div></div></div></div></div></div></div></div></div><div class=""><br class="webkit-block-placeholder"></div>
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Kühne</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; orphans: 2; widows: 2;" class="">Dynamics of Condensed Matter</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; orphans: 2; widows: 2;" class="">Chair of Theoretical Chemistry</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; orphans: 2; widows: 2;" class="">University of Paderborn</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; orphans: 2; widows: 2;" class="">Warburger Str. 100</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; orphans: 2; widows: 2;" class="">D-33098 Paderborn</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; orphans: 2; widows: 2;" class="">Germany</div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; orphans: 2; widows: 2;" class=""><a href="mailto:tdku...@mail.upb.de" class="">tdku...@mail.upb.de</a></div><div style="color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-ligatures: normal; font-variant-caps: normal; font-variant-east-asian: normal; font-variant-position: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; orphans: 2; widows: 2;" class="">+49/(0)5251/60-5726</div></div></div></div>
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