[CP2K-user] [CP2K:16407] Unknown Element kind

[bharat poudel]

I got this error while running a md simulation with cp2k:




*Unknown element for KIND <C       13.203000       15.816000       
13.931000>. This * *  \___/       problem can be fixed specifying properly 
elements in PDB or    * *    |       specifying a KIND section or getting 
in touch with one of  the   * *  O/|                                 
developers!*


This is the first few lines of of the structure I used.

        









*C        13.203000        15.816000        13.931000        C       
 16.157000        16.336000        11.615000        C        17.399000     
   18.490000        11.117000        C        19.605000        18.928000   
     12.016000        C        10.364000        12.516000        12.740000  
      C        10.574000        11.787000        13.918000        C       
 10.884000        10.426000        13.860000        C        10.779000     
   10.503000        11.447000        C        8.740000        14.386000     
   12.806000        C        7.644000        13.325000        12.827000*

The error is associated with the element kind C and I believe I have 
correctly mentioned it.

Here is the KIND part of cp2k input:























*&COORD      @include 'final_system.xyz'    &END COORD    &TOPOLOGY      
&CENTER_COORDINATES     &END    &END TOPOLOGY    &KIND H      BASIS_SET 
DZVP-MOLOPT-GTH      POTENTIAL GTH-PBE    &END KIND    &KIND N      
BASIS_SET DZVP-MOLOPT-GTH      POTENTIAL GTH-PBE    &END KIND    &KIND C    
  BASIS_SET DZVP-MOLOPT-GTH      POTENTIAL GTH-PBE    &END KIND    &KIND O  
    BASIS_SET DZVP-MOLOPT-GTH      POTENTIAL GTH-PBE    &END KIND*

The version of CP2K that I am using is 7.1.

I think I have missed something (some silly mistake) that I could not 
figure out. Any helps/suggestions will be appreciated.

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