<div dir="ltr">All, <div><br></div><div>My name is Stephen, and I'm just starting to use CP2K with my research. I am looking to compare a calculation I performed in VASP with CP2K.  <br><br></div><div>I am currently trying to incorporate D3 dispersion corrections into my calculations, but I am receiving the following error message: </div><div><br></div><div><br> *******************************************************************************<br> *   ___                                                                       *<br> *  /   \                                                                      *<br> * [ABORT]                                                                     *<br> *  \___/                             CPASSERT failed                          *<br> *    |                                                                        *<br> *  O/|                                                                        *<br> * /| |                                                                        *<br> * / \                                               qs_dispersion_utils.F:123 *<br> *******************************************************************************<br><br><br> ===== Routine Calling Stack =====<br><br>            2 qs_init_subsys<br>            1 CP2K<br></div><div style="font-size: small;"><br></div><div style="font-size: small;">I'm not sure where the calculation is failing. The script before was working fine, but as soon as I added into the vdW_POTENTIAL section the input script started producing the error. I think the probably is related to that specific portion of my .inp file. I've attached both the .inp and the .out file for viewing. </div><div style="font-size: small;"><br>Thanks for all the help! </div><div style="font-size: small;"><br></div><div style="font-size: small;">With much appreciation, </div><div style="font-size: small;"><br>Stephen </div></div>