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Quantum Espresso DFT+D

by thomas young
Tags: espresso, quantum
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thomas young
#1
Jul20-10, 01:27 PM
P: 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
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