qs_dftb_parameters.F error . a bug?

[Jj Ll]

hi guys,

i use  SCC-DFTB to do  some optimize.

but  it is  a error  here.



 *****************************************************************************
 *****************************************************************************
 CP2K| Failure in assigning KINDS <C> and <CL> to a DFTB interaction 
pair!qs_dftb_parameters.F line 206
 CP2K| Abnormal program termination, stopped by process number 3
 CP2K| Failure in assigning KINDS <C> and <CL> to a DFTB interaction 
pair!qs_dftb_parameters.F line 206
 CP2K| Abnormal program termination, stopped by process number 1
 CP2K| Failure in assigning KINDS <C> and <CL> to a DFTB interaction 
pair!qs_dftb_parameters.F line 206
 CP2K| Abnormal program termination, stopped by process number 2
 *** 13:23:44 ERRORL3 in qs_dftb_parameters:qs_dftb_param_init processor 0 
***
 ***  :: err=-300 Failure in assigning KINDS <C> and <CL> to a DFTB        
***
 *** interaction pair!qs_dftb_parameters.F line 206                        
***
 *****************************************************************************


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

            3 qs_init_subsys
            2 quickstep_create_force_env
            1 CP2K
 CP2K| Failure in assigning KINDS <C> and <CL> to a DFTB interaction 
pair!qs_dftb_parameters.F line 206
 CP2K| Abnormal program termination, stopped by process number 0





thank.



xianjin

unviersity of  nanjing  science and technology
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