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