I'm trying to get atomic energy and pressure in a energy_force type calculation with PBE0 functionals. the scf iteration is perfectly done, but the 'CPASSERT failed' occur before the output of atomic energy. Does anybody have experience with it?  Please give me some advice. Thanks!<div><br></div><div> SUM OF ATOMIC FORCES           0.00005771    -0.00000464    -0.00001195     0.00005911</div><div><div>                                                                                                                                                                                                                </div><div> Potential energy (Atomic):                                  -1178.5987768198552                                                                                                                                </div><div> Potential energy (Total) :                                  -1276.4967518528154                                                                                                                                </div><div> Difference               :                                     97.8979750329602                                                                                                                                </div><div>                                                                                                                                                                                                                </div><div> *******************************************************************************                                                                                                                                </div><div> *   ___                                                                       *                                                                                                                                </div><div> *  /   \                                                                      *                                                                                                                                </div><div> * [ABORT]                                                                     *                                                                                                                                </div><div> *  \___/                             CPASSERT failed                          *                                                                                                                                </div><div> *    |                                                                        *                                                                                                                                </div><div> *  O/|                                                                        *                                                                                                                                </div><div> * /| |                                                                        *                                                                                                                                </div><div> * / \                                                 force_env_methods.F:423 *                                                                                                                                </div><div> *******************************************************************************                                                                                                                                </div><div>                                                                                                                                                                                                                </div><div>                                                                                                                                                                                                                </div><div> ===== Routine Calling Stack =====                                                                                                                                                                              </div><div>                                                                                                                                                                                                                </div><div>            1 CP2K</div><div><br></div><div>                                           </div></div>

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