[CP2K-user] Does SUBSYS need to be the same for multiple FORCE_EVALs in a MIXED DFT run?

[Dev Rana]

Hello,

I'm trying to run a MIXED LINEAR DFT with MD run in which I have 2 states 
defined in multiple FORCE_EVALs. I might just be doing this incorrectly but 
I'm getting the following error. My cell vectors were predefined by an MD 
equilibration run, they should be OK. I even tried to expand my cell (make 
it very large) but I get the same error. My only thought that the SUBSYS 
COORDs are different. *State 1 has 5 Carbon Atoms and 10 Hydrogen Atoms and 
State 2 has 15 Hydrogen Atoms. *Is this the reason for the error? 

 *******************************************************************************
 *   ___                                                                    
   *
 *  /   \                                                                  
    *
 * [ABORT]                                                                  
   *
 *  \___/      An invalid set of cell vectors was specified. The 
determinant   *
 *    |                             det(h) is too small                    
    *
 *  O/|                                                                    
    *
 * /| |                                                                    
    *
 * / \                                                
 subsys/cell_types.F:357 *
 *******************************************************************************


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

            4 topology_control
            3 mixed_init
            2 mixed_create_force_env
            1 CP2K

Best Regards,
Devyesh Rana
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