Reply To: Abinitio Calculations – typical parameters

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November 11, 2010 at 6:42 pm #4664
Anonymous

    I can’t address most of your question. However, I do know that the computational intensity for abinitio comes from nstruct. nstruct of 2 is nothing; nstruct of 10000 is starting to approach a reasonable number and nstruct of one million is not unheard of.