Hi Rahul, <div><br></div><div>have you also tried by adding the KIND H?</div><div>Regards</div><div>Marcella<br><br></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Monday, April 12, 2021 at 6:05:15 AM UTC+2 rah...@gmail.com wrote:<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="ltr"><br><br><div class="gmail_quote"><div dir="ltr"><div class="gmail_quote"><div dir="ltr">Hello everyone,<br>   I am new in CP2k and trying to do a QMMM calculation, while doing so I am getting the following error which, I tried to rectify by looking at some examples but couldn't able to figure it out. <br><div><br></div><div><div>*******************************************************************************</div><div> *   ___                                                                       *</div><div> *  /   \                                                                      *</div><div> * [ABORT]  No &KIND section was possible to associate to the atomic kind <H>. *</div><div> *  \___/    The KIND section were also scanned for the corresponding element  *</div><div> *    |    <H>  and for the DEFAULT section but no match was found. Check your *</div><div> *  O/|                                 input file!                            *</div><div> * /| |                                                                        *</div><div> * / \                                                    qs_kind_types.F:1514 *</div><div> *******************************************************************************</div></div><div><br></div><div>I am hereby attaching the input and output files for reference.<br><br>Thanks in advance.</div><div><br></div><div>Regards<br>Rahul</div><div><br style="color:rgba(0,0,0,0.87);font-family:Roboto,RobotoDraft,Helvetica,Arial,sans-serif;font-size:14px;font-style:normal;font-variant-ligatures:normal;font-variant-caps:normal;font-weight:400;letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;background-color:rgb(255,255,255);text-decoration-style:initial;text-decoration-color:initial"><br></div></div>
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