I'm doing DFT computations with HGH pseudopotentials. Now I have to   
   compute some atoms with a single valence electron (H and Li) in order to   
   compute binding energies of molecules. How shall I do the atomic   
   computations? Do I just solve the single electron Schrödinger equation   
   or do I have to do some self-consistent iteration for single electron   
   systems, too?   
      
        - Tommi Höynälänmaa   
      
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