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I have been assigned the task to write a computer code to implement the Perdew Burke and Ernzerhof (PBE) method. Does anyone know a good reference which can make the coding of this method easier?

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  • $\begingroup$ Using a plane wave basis? $\endgroup$ – lemon Sep 20 '14 at 1:26
  • $\begingroup$ Yeah, I am trying to include the functions in this paper. journals.aps.org/prl/abstract/10.1103/PhysRevLett.77.3865 $\endgroup$ – Gihan Sep 20 '14 at 11:35
  • $\begingroup$ And are you implementing it into some existing code? Or do you need to start from scratch? $\endgroup$ – lemon Sep 20 '14 at 14:54
  • $\begingroup$ To an existing code. $\endgroup$ – Gihan Sep 20 '14 at 16:11
  • $\begingroup$ I found this website very resourceful for someone interested in the PBE method. chem.uci.edu/~kieron/dftold $\endgroup$ – Gihan Sep 22 '14 at 19:16

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