KPoint Implmentation in CP2K

Declan Scullion dec... at
Fri Sep 4 13:19:19 UTC 2015

Dear All,

Forgive me for any mistakes I may include in this post as I am new to 
posting on this CP2K forum. I've noticed there has been a partial 
implementation of KPOINTS on cp2k version 2.6 onwards. I have tried 
implementing this and have run into several problems. I have been able to 
solve most of these problems however the latest problem I have not been so 

I receive an error stating:

 *** 16:12:09 ERRORL2 in kpoint_transitional processor 0  :: err=-1000 ***
 *** UNIMPLEMENTED, Method not implemented for k-points                ***
This is received during the routine calling stack:

 ===== Routine Calling Stack =====

            6 qs_rho_update_rho
            5 scf_env_initial_rho_setup
            4 init_scf_run
            3 qs_energies_scf
            2 qs_forces
            1 CP2K

I think I have narrowed the problem down to the source (src) file 
kpoint_transistional.F on line 50 however I don't fully understand the 
syntax here and the file is not commented. I also attach a copy of my input 
file in the hopes of solving this problem. Any help would be greatly 


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