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NO $ECP GROUP FOUND FOR ECP=READ

B. Koa
barfi.koa@gmail.com


Dear FF Users

When I try to run my file which includes 1 ECP I get :

*** ERROR *** NO $ECP GROUP FOUND FOR ECP=READ

I have used external basis sets and ECP for a molecule that has 220 atoms. I appreciate your help to solve the problem in advance.

B. Koa

This is the ECP group:

$ECP
C-ECP NONE
C-ECP NONE
C-ECP NONE
NI-ECP GEN     10     2
 3      ----- d potential     -----
   -10.0000000        1    469.9324331        
   -69.4084805        2     85.4236411        
   -12.0951020        2     21.2674984        
 4      ----- s-d potential     -----
     3.0000000        0    162.1686097        
    22.0253618        1    176.5333232        
   443.0181088        2     68.9562010        
   145.5696411        2     13.5792838        
 4      ----- p-d potential     -----
     5.0000000        0     69.0181506        
     4.9882824        1    275.5955596        
   256.6945853        2     47.1315453        
    78.4754450        2     12.9874075

C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
C-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
H-ECP NONE
$END


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