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forum:data:2016:wrong_missing_ground_state [2016/11/02 06:33] – Created from the form at forum:start Hebatalla Elnaggarforum:data:2016:wrong_missing_ground_state [2016/11/02 13:29] – Maurits W. Haverkort
Line 7: Line 7:
 Operating system: All Operating system: All
  
-Version: Linux Jun 27 2016   +Version:  
-        Windows Jun 27 2016 +  * Linux Jun 27 2016   
-        Mac Jun 28 2016 +  * Windows Jun 27 2016 
 +  * Mac Jun 28 2016 
  
 Error: Missing (ground) state. The calculation doesn't find the correct ground state if we calculate the EigenSystem() with small number of Npsi.  Error: Missing (ground) state. The calculation doesn't find the correct ground state if we calculate the EigenSystem() with small number of Npsi. 
  
-Calculation: d6, Ligand field close to high-low spin transition+Calculation: d<sup>6</sup>, Ligand field close to high-low spin transition
  
 Output: Output:
 +
 ***************** *****************
 Npsi=1 Npsi=1

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