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Quantum Espresso DFT+D 
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#1
Jul2010, 01:27 PM

P: 1

Hi,
Can anyone help me? I am running Quantum Espresso with planewave 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 


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