Hello, everyone.<div>If ANNEALING_TEMPERATURE is used, a SGCPMD will be proceed.</div><div><div>It have shown that the NOISE_GAMMA should change if the system undergoes large changes, for example, in phase transitions or global chemical reactions.</div><div>So is it approximate to use ANNEALING_TEMPERATURE arbitrarily ?</div><div><br /></div><div>Moon</div><div><br /></div></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">在2020年11月10日星期二 UTC+9 01:40:04<Lucas Wu> 写道：<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><div dir="auto">Dear Thomas,</div><div dir="auto"><br></div><div dir="auto">How do I set the start temperature? Does cp2k have start and end temperature like vasp?</div><div dir="auto"><br></div><div dir="auto">Regards,</div><div dir="auto">Lucas</div><div><br><div class="gmail_quote"></div></div><div><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Mon, Nov 9, 2020 at 08:29 Thomas Kühne <<a href data-email-masked rel="nofollow">tku...@gmail.com</a>> wrote:<br></div></div></div><div><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-style:solid;padding-left:1ex;border-left-color:rgb(204,204,204)"><div style="word-wrap:break-word;line-break:after-white-space">Dear Lucas, <div><br></div><div>Matt’s comment is correct. But just to be clear, when you want to anneal to 300 K, you </div><div>better start from a higher value together with TEMPERATURE_ANNEALING<1. </div><div><br></div><div>Cheers, </div><div>Thomas<br><div><br><blockquote type="cite"></blockquote></div></div></div><div style="word-wrap:break-word;line-break:after-white-space"><div><div><blockquote type="cite"><div>Am 09.11.2020 um 13:31 schrieb Matt W <<a href data-email-masked rel="nofollow">mattwa...@gmail.com</a>>:</div><br></blockquote></div></div></div><div style="word-wrap:break-word;line-break:after-white-space"><div><div><blockquote type="cite"><div></div></blockquote></div></div></div><div style="word-wrap:break-word;line-break:after-white-space"><div><div><blockquote type="cite"><div><span style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none;float:none;display:inline!important">Yes. To my knowledge you can only get exponential cooling exactly as you stated.</span><div style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><br></div><div style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none">Matt<br><br></div><div class="gmail_quote" style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><div dir="auto" class="gmail_attr" style="font-family:Helvetica">On Monday, November 9, 2020 at 3:26:36 AM UTC Lucas Wu wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-style:solid;padding-left:1ex;font-family:Helvetica;border-left-color:rgb(204,204,204)">Hi Thomas,<div style="font-family:Helvetica"><br></div><div style="font-family:Helvetica">I'm new to CP2K.</div><div style="font-family:Helvetica">So if I want to cool to 300K, I need to  set TEMPERATURE=300K, and TEMPERATURE_ANNEALING<1?<br></div><div style="font-family:Helvetica"><br></div><div style="font-family:Helvetica">Best,</div><div style="font-family:Helvetica">Lucas</div><div class="gmail_quote" style="font-family:Helvetica"><div dir="auto" class="gmail_attr" style="font-family:Helvetica">On Monday, April 27, 2020 at 7:26:39 PM UTC-4 tkuehne wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-style:solid;padding-left:1ex;font-family:Helvetica;border-left-color:rgb(204,204,204)"><div style="word-wrap:break-word;line-break:after-white-space;font-family:Helvetica">Nope, <div style="font-family:Helvetica"><br></div><div style="font-family:Helvetica">values smaller are for annelaing/quenching, whereas values </div><div style="font-family:Helvetica">larger than 1 can be used to exponentially increase the </div><div style="font-family:Helvetica">temperature. The value is used to rescale the temperature, </div><div style="font-family:Helvetica">which is then used as the target temperature for your </div><div style="font-family:Helvetica">thermostat. </div><div style="font-family:Helvetica"><br></div><div style="font-family:Helvetica">Cheers, </div><div style="font-family:Helvetica">Thomas<br><div style="font-family:Helvetica"><br><blockquote type="cite" style="font-family:Helvetica"></blockquote></div></div></div><div style="word-wrap:break-word;line-break:after-white-space;font-family:Helvetica"><div style="font-family:Helvetica"><div style="font-family:Helvetica"><blockquote type="cite" style="font-family:Helvetica"><div style="font-family:Helvetica">Am 27.04.2020 um 23:58 schrieb Dev Rana <<a rel="nofollow" style="font-family:Helvetica">dev....@gmail.com</a>>:</div><br></blockquote></div></div></div><div style="word-wrap:break-word;line-break:after-white-space;font-family:Helvetica"><div style="font-family:Helvetica"><div style="font-family:Helvetica"><blockquote type="cite" style="font-family:Helvetica"><div style="font-family:Helvetica"><div dir="ltr" style="font-family:Helvetica">Thanks Thomas!<div style="font-family:Helvetica"><br></div><div style="font-family:Helvetica">I'm assuming that values higher than 1 are for annealing, and values lower than 1 are for quenching?</div><div style="font-family:Helvetica"><br></div><div style="font-family:Helvetica">Is there a specific way of using this function either by itself or with a thermostat?</div><div style="font-family:Helvetica"><br></div><div style="font-family:Helvetica">Is there a tutorial or sample code you can refer me to?</div><div style="font-family:Helvetica"><br></div><div style="font-family:Helvetica">Best Regards,</div><div style="font-family:Helvetica">Dev<br><br>On Monday, April 27, 2020 at 5:29:48 PM UTC-4, tkuehne wrote:<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-style:solid;padding-left:1ex;font-family:Helvetica;border-left-color:rgb(204,204,204)"><div style="word-wrap:break-word;line-break:after-white-space;font-family:Helvetica">Dear Dev, <div style="font-family:Helvetica"><br></div><div style="font-family:Helvetica">this can be done using TEMPERATURE_ANNEALING. </div><div style="font-family:Helvetica">Values smaller and larger than 1 are necessary for either </div><div style="font-family:Helvetica">case. </div><div style="font-family:Helvetica"><br></div><div style="font-family:Helvetica">Cheers, </div><div style="font-family:Helvetica">Thomas<br><div style="font-family:Helvetica"><br><blockquote type="cite" style="font-family:Helvetica"><div style="font-family:Helvetica">Am 27.04.2020 um 21:24 schrieb Dev Rana <<a rel="nofollow" style="font-family:Helvetica">dev....@gmail.com</a>>:</div><br><div style="font-family:Helvetica"><div dir="ltr" style="font-family:Helvetica">Hello Friends! Hopefully everyone is staying safe during these crazy times.<div style="font-family:Helvetica"><br></div><div style="font-family:Helvetica">I'm modeling metal aluminum conformations and relaxation due to heat.<br><div style="font-family:Helvetica"><br></div><div style="font-family:Helvetica">I'm attempting to take a solid aluminum block (Al) at 298K from crystal and take it to a molten state at 1000K. After some time at 1000K, when the block begins to exhibit equilibrium conditions, I'd like to take it back to a solid room temperature state at 298K. What is the best method to accomplish this? I'm using a CSVR thermostat currently at 1000K. But I'm not sure how to accomplish the annealing (298K to 1000K), quenching (1000K to 298K), and tempering (400K) steps or how to use the annealing function to accomplish all of these three.</div><div style="font-family:Helvetica"><br></div><div style="font-family:Helvetica">Any advice would be fantastic!</div><div style="font-family:Helvetica"><br></div><div style="font-family:Helvetica">Thanks!</div><div style="font-family:Helvetica">Dev</div></div></div><div style="font-family:Helvetica"><br></div>--<span style="font-family:Helvetica"> </span><br>You received this message because you are subscribed to the Google Groups "cp2k" group.<br>To unsubscribe from this group and stop receiving emails from it, send an email to<span style="font-family:Helvetica"> </span><a rel="nofollow" style="font-family:Helvetica">cp...@googlegroups.com</a>.<br>To view this discussion on the web visit<span style="font-family:Helvetica"> </span><a href="https://groups.google.com/d/msgid/cp2k/5ca6dfb7-5ce9-4193-8e5f-ffb58596cdf1%40googlegroups.com?utm_medium=email&utm_source=footer" rel="nofollow" style="font-family:Helvetica" target="_blank" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=https://groups.google.com/d/msgid/cp2k/5ca6dfb7-5ce9-4193-8e5f-ffb58596cdf1%2540googlegroups.com?utm_medium%3Demail%26utm_source%3Dfooter&source=gmail&ust=1673614339849000&usg=AOvVaw22awAFvks-WlsC4OGdPhkP">https://groups.google.com/d/msgid/cp2k/5ca6dfb7-5ce9-4193-8e5f-ffb58596cdf1%40googlegroups.com</a>.<br></div></blockquote></div><br></div><br><br><div style="font-family:Helvetica"><div style="letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;word-wrap:break-word;font-family:Helvetica"><div style="letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;word-wrap:break-word;font-family:Helvetica"><div style="letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;word-wrap:break-word;font-family:Helvetica"><div style="font-family:Helvetica;font-size:12px;font-style: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">==============================</div><div style="font-family:Helvetica;font-size:12px;font-style: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">Thomas D. Kühne</div><div style="font-family:Helvetica;font-size:12px;font-style: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">Dynamics of Condensed Matter</div><div style="font-family:Helvetica;font-size:12px;font-style: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">Chair of Theoretical Chemistry</div><div style="font-family:Helvetica;font-size:12px;font-style: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">University of Paderborn</div><div style="font-family:Helvetica;font-size:12px;font-style: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"><a href="https://www.google.com/maps/search/Warburger+Str.+100+D-33098+Paderborn+Germany?entry=gmail&source=g" style="font-family:Helvetica" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=https://www.google.com/maps/search/Warburger%2BStr.%2B100%2BD-33098%2BPaderborn%2BGermany?entry%3Dgmail%26source%3Dg&source=gmail&ust=1673614339849000&usg=AOvVaw1FcUaOYuHftwF0lHfg5E1R">Warburger Str. 100</a></div><div style="font-family:Helvetica;font-size:12px;font-style: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"><a href="https://www.google.com/maps/search/Warburger+Str.+100+D-33098+Paderborn+Germany?entry=gmail&source=g" style="font-family:Helvetica" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=https://www.google.com/maps/search/Warburger%2BStr.%2B100%2BD-33098%2BPaderborn%2BGermany?entry%3Dgmail%26source%3Dg&source=gmail&ust=1673614339849000&usg=AOvVaw1FcUaOYuHftwF0lHfg5E1R">D-33098 Paderborn</a></div><div style="font-family:Helvetica;font-size:12px;font-style: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"><a href="https://www.google.com/maps/search/Warburger+Str.+100+D-33098+Paderborn+Germany?entry=gmail&source=g" style="font-family:Helvetica" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=https://www.google.com/maps/search/Warburger%2BStr.%2B100%2BD-33098%2BPaderborn%2BGermany?entry%3Dgmail%26source%3Dg&source=gmail&ust=1673614339849000&usg=AOvVaw1FcUaOYuHftwF0lHfg5E1R">Germany</a></div><div style="font-family:Helvetica;font-size:12px;font-style: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"><a rel="nofollow" style="font-family:Helvetica">tdku...@mail.upb.de</a></div><div style="font-family:Helvetica;font-size:12px;font-style: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"><a href="tel:+49%205251%20605726" value="+495251605726" rel="nofollow" style="font-family:Helvetica" target="_blank">+49/(0)5251/60-5726</a></div></div></div></div></div><br></div></blockquote></div></div><div style="font-family:Helvetica"><br></div>--<span style="font-family:Helvetica"> </span><br>You received this message because you are subscribed to the Google Groups "cp2k" group.<br></div></blockquote></div></div></div><div style="word-wrap:break-word;line-break:after-white-space;font-family:Helvetica"><div style="font-family:Helvetica"><div style="font-family:Helvetica"><blockquote type="cite" style="font-family:Helvetica"><div style="font-family:Helvetica">To unsubscribe from this group and stop receiving emails from it, send an email to<span style="font-family:Helvetica"> </span><a rel="nofollow" style="font-family:Helvetica">cp2k+uns...@googlegroups.com</a>.<br>To view this discussion on the web visit<span style="font-family:Helvetica"> </span><a href="https://groups.google.com/d/msgid/cp2k/436e7e66-2f7d-4628-8e88-a820801baa18%40googlegroups.com?utm_medium=email&utm_source=footer" rel="nofollow" style="font-family:Helvetica" target="_blank" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=https://groups.google.com/d/msgid/cp2k/436e7e66-2f7d-4628-8e88-a820801baa18%2540googlegroups.com?utm_medium%3Demail%26utm_source%3Dfooter&source=gmail&ust=1673614339849000&usg=AOvVaw2foaqsGCLV_rROw9B5WCNj">https://groups.google.com/d/msgid/cp2k/436e7e66-2f7d-4628-8e88-a820801baa18%40googlegroups.com</a>.<br></div></blockquote></div><br></div></div><div style="word-wrap:break-word;line-break:after-white-space;font-family:Helvetica"><br><br><div style="font-family:Helvetica"><div style="letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;word-wrap:break-word;font-family:Helvetica"><div style="letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;word-wrap:break-word;font-family:Helvetica"><div style="letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;word-wrap:break-word;font-family:Helvetica"><div style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-variant-east-asian: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">==============================</div><div style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-variant-east-asian: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">Thomas D. Kühne</div><div style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-variant-east-asian: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">Dynamics of Condensed Matter</div><div style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-variant-east-asian: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">Chair of Theoretical Chemistry</div><div style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-variant-east-asian: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">University of Paderborn</div><div style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-variant-east-asian: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"><a href="https://www.google.com/maps/search/Warburger+Str.+100+D-33098+Paderborn+Germany?entry=gmail&source=g" style="font-family:Helvetica" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=https://www.google.com/maps/search/Warburger%2BStr.%2B100%2BD-33098%2BPaderborn%2BGermany?entry%3Dgmail%26source%3Dg&source=gmail&ust=1673614339849000&usg=AOvVaw1FcUaOYuHftwF0lHfg5E1R">Warburger Str. 100</a></div><div style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-variant-east-asian: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"><a href="https://www.google.com/maps/search/Warburger+Str.+100+D-33098+Paderborn+Germany?entry=gmail&source=g" style="font-family:Helvetica" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=https://www.google.com/maps/search/Warburger%2BStr.%2B100%2BD-33098%2BPaderborn%2BGermany?entry%3Dgmail%26source%3Dg&source=gmail&ust=1673614339849000&usg=AOvVaw1FcUaOYuHftwF0lHfg5E1R">D-33098 Paderborn</a></div><div style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-variant-east-asian: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"><a href="https://www.google.com/maps/search/Warburger+Str.+100+D-33098+Paderborn+Germany?entry=gmail&source=g" style="font-family:Helvetica" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=https://www.google.com/maps/search/Warburger%2BStr.%2B100%2BD-33098%2BPaderborn%2BGermany?entry%3Dgmail%26source%3Dg&source=gmail&ust=1673614339849000&usg=AOvVaw1FcUaOYuHftwF0lHfg5E1R">Germany</a></div><div style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-variant-east-asian: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"><a rel="nofollow" style="font-family:Helvetica">tdku...@mail.upb.de</a></div><div style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-variant-east-asian: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"><a href="tel:+49%205251%20605726" value="+495251605726" rel="nofollow" style="font-family:Helvetica" target="_blank">+49/(0)5251/60-5726</a></div></div></div></div></div><br></div></blockquote></div></blockquote></div><div style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><br></div><span style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none;float:none;display:inline!important">--<span style="font-family:Helvetica"> </span></span><br style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><span style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none;float:none;display:inline!important">You received this message because you are subscribed to the Google Groups "cp2k" group.</span><br style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"></div></blockquote></div></div></div><div style="word-wrap:break-word;line-break:after-white-space"><div><div><blockquote type="cite"><div><span style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none;float:none;display:inline!important">To unsubscribe from this group and stop receiving emails from it, send an email to<span style="font-family:Helvetica"> </span></span><a href style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px" data-email-masked rel="nofollow">cp2k+uns...@googlegroups.com</a><span style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none;float:none;display:inline!important">.</span><br style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none"><span style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none;float:none;display:inline!important">To view this discussion on the web visit<span style="font-family:Helvetica"> </span></span><a href="https://groups.google.com/d/msgid/cp2k/cf5dc4e3-cb69-4c92-b567-4c86a993475cn%40googlegroups.com?utm_medium=email&utm_source=footer" style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=https://groups.google.com/d/msgid/cp2k/cf5dc4e3-cb69-4c92-b567-4c86a993475cn%2540googlegroups.com?utm_medium%3Demail%26utm_source%3Dfooter&source=gmail&ust=1673614339849000&usg=AOvVaw2s_vsIHY4vQIHsL1TlV28H">https://groups.google.com/d/msgid/cp2k/cf5dc4e3-cb69-4c92-b567-4c86a993475cn%40googlegroups.com</a><span style="font-family:Helvetica;font-size:12px;font-style:normal;font-variant-caps:normal;font-weight:normal;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;text-decoration:none;float:none;display:inline!important">.</span></div></blockquote></div><br></div></div>

<p></p>

-- <br></blockquote></div></div><div><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-style:solid;padding-left:1ex;border-left-color:rgb(204,204,204)">
You received this message because you are subscribed to a topic in the Google Groups "cp2k" group.<br>
To unsubscribe from this topic, visit <a href="https://groups.google.com/d/topic/cp2k/tQmMoosJQI4/unsubscribe" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=https://groups.google.com/d/topic/cp2k/tQmMoosJQI4/unsubscribe&source=gmail&ust=1673614339849000&usg=AOvVaw1QgHfrBSbh0te3Hb7H6cNS">https://groups.google.com/d/topic/cp2k/tQmMoosJQI4/unsubscribe</a>.<br>
To unsubscribe from this group and all its topics, send an email to <a href data-email-masked rel="nofollow">cp2k+uns...@googlegroups.com</a>.<br>
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CF8749EC-2F8A-43CA-9A64-61EE4D6C1D18%40gmail.com?utm_medium=email&utm_source=footer" target="_blank" rel="nofollow" data-saferedirecturl="https://www.google.com/url?hl=zh-CN&q=https://groups.google.com/d/msgid/cp2k/CF8749EC-2F8A-43CA-9A64-61EE4D6C1D18%2540gmail.com?utm_medium%3Demail%26utm_source%3Dfooter&source=gmail&ust=1673614339849000&usg=AOvVaw300vL5pIXfOffHBifkckVo">https://groups.google.com/d/msgid/cp2k/CF8749EC-2F8A-43CA-9A64-61EE4D6C1D18%40gmail.com</a>.<br>
</blockquote></div></div>
</blockquote></div>

<p></p>

-- <br />
You received this message because you are subscribed to the Google Groups "cp2k" group.<br />
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>.<br />
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/7a6c55d5-2c14-4bf7-bc96-1bc81decabe1n%40googlegroups.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/7a6c55d5-2c14-4bf7-bc96-1bc81decabe1n%40googlegroups.com</a>.<br />