Recent content by H. L. Yu

  1. H

    How to calcualte C-C bond energy of diamond by DFT

    Dear all: I want to calculate the C-C bond energy of diamond and the dangling bond energy on diamond surface by DFT. How can I do? Can you tell me ? Thanks a lot! H. L. Yu :confused:
  2. H

    Question on how to calculate bond energy in crystal.

    Dear all: I want to calculate the C-C bond energy of diamond. But I don't kown how to calculate the bond energy by DFT. Can you tell me? Thanks a lot. H. L. Yu
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