<div dir="auto">No</div><div class="gmail_extra"><br><div class="gmail_quote">On 22-Aug-2017 7:13 PM, "Thomas Kühne" <<a href="mailto:tku...@gmail.com">tku...@gmail.com</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div style="word-wrap:break-word">Dear Rakesh, <div><br></div><div>no, it’s your responsibility. Please have a look at the keyword </div><div>CHARGE within the FORCE_EVAL/DFT section to set the </div><div>correct compensating uniform background charge. </div><div><br></div><div>Best, </div><div>Thomas</div><div><br></div><div><div><blockquote type="cite"><div>Am 22.08.2017 um 10:58 schrieb Rakesh Pant <<a href="mailto:rakes...@students.iiserpune.ac.in" target="_blank">rakesh.pant@students.<wbr>iiserpune.ac.in</a>>:</div><br class="m_-5297130840527952827Apple-interchange-newline"><div><div dir="ltr"><div class="gmail_default" style="font-family:times new roman,serif;font-size:large">Dear all,<br><br></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><br><br></div><div class="gmail_default" style="font-family:times new roman,serif;font-size:large">Thanks<br></div><div class="gmail_default" style="font-family:times new roman,serif;font-size:large">Rakesh<br clear="all"></div><br>-- <br><div class="m_-5297130840527952827gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr">Rakesh Pant/राकेश पंत<div>Research Fellow/अनुसंधान फेलो</div><div>Indian Institute of Science Education and Research (IISER)<br>भारतीय विज्ञान शिक्षा एवं अनुसंधान संस्थान<br>Pune-411008, India/ पुणे - ४११००८, भारत <br></div><div>Web:<a href="http://www.iiserpune.ac.in/~arun/webarun_files/rp.htm" target="_blank">http://www.iiserpune.ac.<wbr>in/~arun/webarun_files/rp.htm</a></div><div><br></div></div></div></div></div></div></div>
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