<div dir="ltr">Dear Prof. Matthias, Thank you very much for the clarification. Subhadeep</div> <div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, May 27, 2024 at 1:05 PM Krack Matthias <<a href="mailto:matthias.krack@psi.ch">matthias.krack@psi.ch</a>> wrote: </div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div class="msg8698982074380084345"> <div lang="en-CH" style="overflow-wrap: break-word;"> <div class="m_8698982074380084345WordSection1"> Dear Subhadeep If no unit is specified explicitly, you can assume atomic units like in this case for the spin moment, it is 1 μ_B. Best Matthias <div id="m_8698982074380084345mail-editor-reference-message-container"> <div> <div style="border-right:none;border-bottom:none;border-left:none;border-top:1pt solid rgb(181,196,223);padding:3pt 0cm 0cm"> From: <a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a> <<a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a>> on behalf of subhadeep banerjee cy16d038 <<a href="mailto:cy16d038@smail.iitm.ac.in" target="_blank">cy16d038@smail.iitm.ac.in</a>> Date: Monday, 27 May 2024 at 08:54 To: cp2k <<a href="mailto:cp2k@googlegroups.com" target="_blank">cp2k@googlegroups.com</a>> Subject: [CP2K:20242] What is the unit of spin moment written in cp2k output file? </div> Dear users, Recently, I performed an SCF calculation in cp2k with one extra electron using unrestricted Kohn-Sham condition. In the output file, net charge and spin moment are printed as follows. Since the unit of the spin moment is not printed in the output file, I am confused if it is in the SI unit (B.m) or in the Gaussian unit (erg/G). Please help me to get the unit of spin moment printed in the cp2k output file. Thanks in advance, Subhadeep <img width="970" height="409" style="width: 10.1041in; height: 4.2604in;" id="m_8698982074380084345_x0000_i1025" src="cid:ii_18fbaf36dd4311cd0e41"> -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/806d3126-f806-4ece-8575-a521a89b8950n%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank"> https://groups.google.com/d/msgid/cp2k/806d3126-f806-4ece-8575-a521a89b8950n%40googlegroups.com</a>. </div> </div> </div> </div> -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" target="_blank">cp2k+unsubscribe@googlegroups.com</a>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/ZRAP278MB0827137B2961D425273BEAF4F4F02%40ZRAP278MB0827.CHEP278.PROD.OUTLOOK.COM?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/ZRAP278MB0827137B2961D425273BEAF4F4F02%40ZRAP278MB0827.CHEP278.PROD.OUTLOOK.COM</a>. </div></blockquote></div> -- You received this message because you are subscribed to the Google Groups "cp2k" group. To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com">cp2k+unsubscribe@googlegroups.com</a>. To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAKPN%3DdgzANZVGk1Cg4eXm1%2BF_bhKqv8yYXfyxTiJpV3q_jF%3DfQ%40mail.gmail.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/CAKPN%3DdgzANZVGk1Cg4eXm1%2BF_bhKqv8yYXfyxTiJpV3q_jF%3DfQ%40mail.gmail.com</a>.