<div dir="ltr">Dear Users, I am trying to use REFTRAJ on a simulated trajectory of water obtained from classical simulation. I want to get the wannier centers for my classically simulated system. When I tried running the input file using CP2K I am getting the error : ******************************************************************************* * ___ * * / \ * * [ABORT] * * \___/ CPASSERT failed * * | * * O/| * * /| | * * / \ motion/integrator.F:1546 * ******************************************************************************* ===== Routine Calling Stack ===== 3 velocity_verlet 2 qs_mol_dyn_low 1 CP2K The input file is also attached with the mail. Thanking You, Rahul Verma, Amity University Lucknow </div>