[CP2K-user] Nearest neighbour error

bobs your uncle fergus... at hotmail.com
Tue Jun 4 01:41:56 UTC 2019


Hi folks,

Having issues with an error I can seem to resolve. I have adapted a restart 
file to run a new cell_opt job with a different basis-set/potential. As the 
subject indicates, I receive an error. I have tried numerous variations 
(changing basis, simplifying my level of theory etc) to no avail. Would 
anyone know why this is happening?

*******************************************************************************

 *   ___                                                                   
    *

 *  /   \                                                                  
    *

 * [ABORT]                                                                 
    *

 *  \___/   No neighbor list set is associated. Did you specify *all* 
required *

 *    |                          basis-sets, eg. for ADMM?                 
    *

 *  O/|                                                                    
    *

 * /| |                                                                    
    *

 * / \                                           qs_neighbor_list_types.F:1033 
*

 
*******************************************************************************

Cheers,
Fergus


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