<div>Dear CP2K users,</div><div>I encountered an error during running CP2K with HSE06 functional,</div><div>Here is the error message and input files,</div><div>Is there any error in my inputs causing the error?</div><div>Thank you very much in advance,</div><div>Best Wishes,<br>Geng</div><div><br></div><div><br></div><div>     1 NoMix/Diag. 0.10E+00 1916.5     3.49087199     -3041.0680583628 -3.04E+03<br></div><div>     2 Broy./Diag. 0.10E+00   31.1     0.28448962     -2478.5755979948  5.62E+02</div><div>     3 Broy./Diag. 0.10E+00   31.1     4.25450361     -2795.9533909106 -3.17E+02</div><div>     4 Broy./Diag. 0.10E+00   30.7     4.34783671     -2912.5529555092 -1.17E+02</div><div><br></div><div> *******************************************************************************</div><div> *   ___                                                                       *</div><div> *  /   \                                                                      *</div><div> * [ABORT]                                                                     *</div><div> *  \___/                            Invalid argument                          *</div><div> *    |                                                                        *</div><div> *  O/|                                                                        *</div><div> * /| |                                                                        *</div><div> * / \                                                   common/mathlib.F:1498 *</div><div> *******************************************************************************</div><div><br></div><div><br></div><div> ===== Routine Calling Stack =====</div><div><br></div><div>           17 xwpbe_lsd_eval</div><div>           16 xc_functional_eval</div><div>           15 xc_rho_set_and_dset_create</div><div>           14 xc_vxc_pw_create</div><div>           13 qs_vxc_create</div><div>           12 qs_ks_build_kohn_sham_matrix</div><div>           11 rebuild_ks_matrix</div><div>           10 qs_ks_update_qs_env</div><div>            9 scf_env_do_scf_inner_loop</div><div>            8 scf_env_do_scf</div><div>            7 qs_energies</div><div>            6 qs_forces</div><div>            5 cp_eval_at</div><div>            4 cp_cg_main</div><div>            3 geoopt_cg</div><div>            2 cp_geo_opt</div><div>            1 CP2K</div><div><br></div>