[Octopus-users] Species Au not found.

[#YANG JING#]

Hi~all
 
 
I am a new comer to Octopus. And when I follow the tutorial, the "Na3 example" run very well. But when I changed the atom to Au, it always ended with the information that 
 
"**************************** FATAL ERROR *****************************
*** Fatal Error (description follows)
*--------------------------------------------------------------------
* Species Au not found.
**********************************************************************
"
 
My inp file:
 
CalculationMode = go                   
Units = eV_Angstrom                    
                                       
XYZCoordinates = "inp.xyz"             
                                       
GOMethod = cg_bfgs                     

 
My inp.xyz file:
 
   3
      Au                  -2.274006   -1.810314   -1.616857
      Au                   0.462054   -0.513142   -2.239166
      Au                   1.347421    0.899591    0.394729

 
 
Would you mind to give me some suggest for how to solve this problem?
 
Thanks sooo much
 
Best Regards
 
Yang Jing
 
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