Quantum Espresso DFT+D

  1. Hi,
    Can anyone help me? I am running Quantum Espresso with plane-wave DFT and vanderbilt pseudopotentials. I am modelling a material which has van der Waals bonding in it and am trying to implement DFT+D. The problem is my dispersive forces will not converge...

    Any tips would be much appreciated.

    Thanks
     
  2. jcsd
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