basis set generation in CP2K

ningz... at ningz... at
Sun May 13 16:08:35 UTC 2018

Dear all CP2K experts,
      I want to generate the basis set for some elements in CP2K. I have 
potential and gaussian exponents, and now I need to do MOLPOT procedure to 
generate the contract coefficients. Here I have a question: I find that the 
contract coefficients are dependent on the initial guess 
in BASIS_TEMPLATE_FILE. So how can we choose initial guess and get true 
results for contract coefficients?
     Best wishes,
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