Hello,<div><br /></div><div>I'm trying a DFTB NPT_I calculation and I used the tutorial (https://www.cp2k.org/exercises:2015_cecam_tutorial:mtd1) to set it up. I get the following error after the 0-th step in the .ener file:<br /><br /></div><div>Writing TRAJECTORY 1_0 to QD-pos-1.xyz<br /><br /> *******************************************************************************<br /> *   ___                                                                       *<br /> *  /   \                                                                      *<br /> * [ABORT]                                                                     *<br /> *  \___/                             CPASSERT failed                          *<br /> *    |                                                                        *<br /> *  O/|                                                                        *<br /> * /| |                                                                        *<br /> * / \                                                   pw/pw_grid_info.F:195 *<br /> *******************************************************************************<br /><br /><br /> ===== Routine Calling Stack ===== <br /><br />            7 pw_grid_setup<br />            6 pw_env_rebuild<br />            5 qs_env_rebuild_pw_env<br />            4 qs_forces<br />            3 velocity_verlet<br />            2 qs_mol_dyn_low<br />            1 CP2K<br /></div><div><br /></div><div>Can you please help me out ?</div><div><br /></div><div>I am attaching the input and the geometry</div><div><br /></div><div>Thanx in advance,</div><div>Dobromir</div>

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