[CP2K-user] [CP2K:18317] Issue with LnPP2

[SUNIL KUMAR]

 I want to test pseudopotentials and norm-conserving 4f-in-Core base sets 
optimized for trivalent lanthanides.

Unfortunately I have the following error message in the output:

WARNING: Core states irregular for atom type Dy
WARNING: Redefine ELEC_CONF in the KIND section

 *******************************************************************************
 *   ___                                                                   
    *
 *  /   \                                                                   
   *
 * [ABORT]                                                                 
    *
 *  \___/                Incompatible Atomic Occupations Detected           
   *
 *    |                                                                     
   *
 *  O/|                                                                     
   *
 * /| |                                                                     
   *
 * / \                                                   
 qs_kind_types.F:3281 *
 *******************************************************************************

Can anyone explain this error message to me?

I set the ELEC_CONF 3 6 2 0 keyword in the Kind of Dy atom section, but 
nothing changes.


I guess that's the correct electron configuration I should set up with this 
kind of pseudopotential, but I don't know how to do it

Thank you all 
Sunil

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