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dft:start [2016/10/10 09:40] – external edit 127.0.0.1dft:start [2019/02/21 08:40] (current) – Maurits W. Haverkort
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-Quanty can be used as a post DFT or Hartree-Fock program. We however do not provide a fully optimized code to do the DFT or Hartree-Fock calculations. Instead we use on of the many implementations already available in link into these codes. Here we provide links to these codes and show how one can use these as input for our calculations.+Quanty can be used as a post DFT or Hartree-Fock program. We however do not provide a fully optimized code to do the DFT or Hartree-Fock calculations. Instead we use on of the many implementations already available and link into these codes. Here we provide links to these codes and show how one can use these as input for our calculations.
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