<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 Young In Jhon, <div class=""><br class=""></div><div class="">the EACH section is a subsection of the properties you want to output. </div><div class="">I.e. you’ll find it within WANNIER_CUBES and WANNIER_CENTERS. </div><div class=""><br class=""></div><div class="">Greetings, </div><div class="">Thomas Kühne<br class=""><div><br class=""><blockquote type="cite" class=""><div class="">Am 19.03.2024 um 03:16 schrieb Young In Jhon <<a href="mailto:yijhon@gmail.com" class="">yijhon@gmail.com</a>>:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><div dir="ltr" class=""><div class="">Hello,</div><div class=""><br class=""></div><div class="">I'd like to print wanniner centers every 8 step during AIMD using cp2k 2024.1.</div><div class="">I used the following keywords, but I've got the error message shown below.</div><div class=""><br class=""></div><div class="">&LOCALIZE</div><div class=""> METHOD CRAZY</div><div class=""> EPS_LOCALIZATION 1.0E-8</div><div class=""> &PRINT</div><div class=""> &EACH</div><div class=""> MD 8</div><div class=""> &END EACH</div><div class=""> ! Output the Wannier functions as cube-files</div><div class=""> !&WANNIER_CUBES</div><div class=""> !&END</div><div class=""> ! Output the centers of all Wannier functions as xyz-file</div><div class=""> &WANNIER_CENTERS</div><div class=""> IONS+CENTERS .TRUE.</div><div class=""> &END</div><div class=""> &END</div><div class=""> &END</div><div class=""><br class=""></div><div class="">*******************************************************************************</div><div class=""> * ___ *</div><div class=""> * / \ *</div><div class=""> * [ABORT] *</div><div class=""> * \___/ unknown subsection EACH of section PRINT *</div><div class=""> * | *</div><div class=""> * O/| *</div><div class=""> * /| | *</div><div class=""> * / \ input/input_parsing.F:185 *</div><div class=""> *******************************************************************************</div><div class=""><br class=""></div><div class=""><br class=""></div><div class=""> ===== Routine Calling Stack =====</div><div class=""><br class=""></div><div class=""> 6 section_vals_parse</div><div class=""> 5 section_vals_parse</div><div class=""> 4 section_vals_parse</div><div class=""> 3 section_vals_parse</div><div class=""> 2 section_vals_parse</div><div class=""> 1 read_input</div><div class=""><br class=""></div><div class="">What keyword should I use to print it every 8 step?</div><div class="">At what output file, can I see the Wannier centers and ion positions?</div><div class=""><br class=""></div><div class="">Thank you for your asnwers in advance.</div><div class=""><br class=""></div><div class="">Best regards,</div><div class=""> Young</div><div class=""><br class=""></div><div class=""><br class=""></div></div></div><div id="DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2" class=""><br class=""><table style="border-top:1px solid #d3d4de" class=""><tbody class=""><tr class=""><td style="width:55px;padding-top:13px" class=""><a href="https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail" target="_blank" class=""><img src="https://s-install.avcdn.net/ipm/preview/icons/icon-envelope-tick-round-orange-animated-no-repeat-v1.gif" alt="" width="46" height="29" style="width: 46px; height: 29px;" class=""></a></td><td style="width:470px;padding-top:12px;color:#41424e;font-size:13px;font-family:Arial,Helvetica,sans-serif;line-height:18px" class="">바이러스가 없습니다.<a href="https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail" target="_blank" style="color:#4453ea" class="">www.avast.com</a></td></tr></tbody></table><a href="x-msg://312/#DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2" width="1" height="1" class=""></a></div><div class=""><br class="webkit-block-placeholder"></div> -- <br class=""> You received this message because you are subscribed to the Google Groups "cp2k" group.<br class=""> To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp2k+unsubscribe@googlegroups.com" class="">cp2k+unsubscribe@googlegroups.com</a>.<br class=""> To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CA%2Bripkk2OqJjCjK9tp1fG3DQ4cRcoiLGQmxykX27ARJDX3ANyw%40mail.gmail.com?utm_medium=email&utm_source=footer" class="">https://groups.google.com/d/msgid/cp2k/CA%2Bripkk2OqJjCjK9tp1fG3DQ4cRcoiLGQmxykX27ARJDX3ANyw%40mail.gmail.com</a>.<br class=""> </div></blockquote></div><br class=""></div></body></html> <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/CA5E59F4-9846-4870-838E-6ADC4894F99F%40gmail.com?utm_medium=email&utm_source=footer">https://groups.google.com/d/msgid/cp2k/CA5E59F4-9846-4870-838E-6ADC4894F99F%40gmail.com</a>.<br />