<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 Rakesh, <div class=""><br class=""></div><div class="">no, it’s your responsibility. Please have a look at the keyword </div><div class="">CHARGE within the FORCE_EVAL/DFT section to set the </div><div class="">correct compensating uniform background charge. </div><div class=""><br class=""></div><div class="">Best, </div><div class="">Thomas</div><div class=""><br class=""></div><div class=""><div><blockquote type="cite" class=""><div class="">Am 22.08.2017 um 10:58 schrieb Rakesh Pant <<a href="mailto:rakes...@students.iiserpune.ac.in" class="">rakes...@students.iiserpune.ac.in</a>>:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><div class="gmail_default" style="font-family:times new roman,serif;font-size:large">Dear all,<br class=""><br class=""></div><div class="gmail_default" style="font-family:times new roman,serif;font-size:large">Is there any way to take care of charged systems, or we can simply perform BOMD run of charged systems as it is done for neutral system. Do we need to have a background charge or it is taken care by the cp2k code.<br class=""><br class=""><br class=""></div><div class="gmail_default" style="font-family:times new roman,serif;font-size:large">Thanks<br class=""></div><div class="gmail_default" style="font-family:times new roman,serif;font-size:large">Rakesh<br clear="all" class=""></div><br class="">-- <br class=""><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr" class=""><div class=""><div dir="ltr" class=""><div class=""><div dir="ltr" class="">Rakesh Pant/राकेश पंत<div class="">Research Fellow/अनुसंधान फेलो</div><div class="">Indian Institute of Science Education and Research (IISER)<br class="">भारतीय विज्ञान शिक्षा एवं अनुसंधान संस्थान<br class="">Pune-411008, India/ पुणे - ४११००८, भारत <br class=""></div><div class="">Web:<a href="http://www.iiserpune.ac.in/~arun/webarun_files/rp.htm" target="_blank" class="">http://www.iiserpune.ac.in/~arun/webarun_files/rp.htm</a></div><div class=""><br class=""></div></div></div></div></div></div></div>
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