<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 Frank, <div class=""><br class=""></div><div class="">a deviation of 10E-6 or less is generally good enough. </div><div class=""><br class=""></div><div class="">Best, </div><div class="">Thomas<br class=""><div><br class=""><blockquote type="cite" class=""><div class="">Am 11.09.2022 um 23:29 schrieb mdsimula...@<a href="http://gmail.com" class="">gmail.com</a> <<a href="mailto:mdsimulationgroup@gmail.com" class="">mdsimulationgroup@gmail.com</a>>:</div><br class="Apple-interchange-newline"><div class="">Thanks Thomas<div class=""><br class=""></div><div class="">What does it look like if the electron count is bad?<br class=""><br class=""></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Sunday, September 11, 2022 at 3:31:19 PM UTC-4 tkuehne wrote:<br class=""></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><div style="word-wrap:break-word;line-break:after-white-space" class="">Dear Frank, <div class=""><br class=""></div><div class="">grep for "<span style="background-color:rgb(251,250,249)" class=""><font color="#333333" face="Consolas, Andale Mono WT, Andale Mono, Bitstream Vera Sans Mono, Nimbus Mono L, Monaco, Courier New, monospace" class=""><span style="font-size:14px" class="">density on regular grids“ in the </span></font></span><font color="#333333" face="Consolas, Andale Mono WT, Andale Mono, Bitstream Vera Sans Mono, Nimbus Mono L, Monaco, Courier New, monospace" class=""><span style="font-size:14px" class="">output. </span></font></div><div class=""><font color="#333333" face="Consolas, Andale Mono WT, Andale Mono, Bitstream Vera Sans Mono, Nimbus Mono L, Monaco, Courier New, monospace" class=""><span style="font-size:14px" class=""><br class=""></span></font></div><div class=""><font color="#333333" face="Consolas, Andale Mono WT, Andale Mono, Bitstream Vera Sans Mono, Nimbus Mono L, Monaco, Courier New, monospace" class=""><span style="font-size:14px" class="">Best, </span></font></div><div class=""><font color="#333333" face="Consolas, Andale Mono WT, Andale Mono, Bitstream Vera Sans Mono, Nimbus Mono L, Monaco, Courier New, monospace" class=""><span style="font-size:14px" class="">Thomas Kühne<br class=""></span></font><div class=""><br class=""><blockquote type="cite" class=""></blockquote></div></div></div><div style="word-wrap:break-word;line-break:after-white-space" class=""><div class=""><div class=""><blockquote type="cite" class=""><div class="">Am 11.09.2022 um 18:13 schrieb mdsimula...@<a href="http://gmail.com/" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=http://gmail.com&source=gmail&ust=1663013148015000&usg=AOvVaw0C8Q8a1DeBYQ-udz8wa0Vw" class="">gmail.com</a> <<a href="" data-email-masked="" rel="nofollow" class="">mdsimula...@gmail.com</a>>:</div><br class=""></blockquote></div></div></div><div style="word-wrap:break-word;line-break:after-white-space" class=""><div class=""><div class=""><blockquote type="cite" class=""><div class="">Hello,<div class=""><br class=""></div><div class="">I've seen a couple posts, such as this one: <a href="https://groups.google.com/u/1/g/cp2k/c/Vr0B84q13lA/m/DjeexaQ_AAAJ" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=en&q=https://groups.google.com/u/1/g/cp2k/c/Vr0B84q13lA/m/DjeexaQ_AAAJ&source=gmail&ust=1663013148015000&usg=AOvVaw20r-Fh2tx5k-GSIxkRbs9C" class="">https://groups.google.com/u/1/g/cp2k/c/Vr0B84q13lA/m/DjeexaQ_AAAJ</a></div><div class=""><br class=""></div><div class="">that mentions the electron count...where do I find that information in the output?</div><div class=""><br class=""></div><div class="">Thanks,</div><div class="">Frank</div><div class=""><br class=""></div></div></blockquote></div></div></div><div style="word-wrap:break-word;line-break:after-white-space" class=""><div class=""><div class=""><blockquote type="cite" class=""><div class="">
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