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Inclusion of vdW in DFT
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Topic: Inclusion of vdW in DFT (Read 3529 times)
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Gagandeep
Regular QuantumATK user
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Inclusion of vdW in DFT
«
on:
August 20, 2016, 12:53 »
Dear ATK users
How to include vdW in DFT..Kindly help.
Thanks
Gagan
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zh
Supreme QuantumATK Wizard
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Re: Inclusion of vdW in DFT
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Reply #1 on:
August 21, 2016, 10:23 »
Pls refer to :
http://quantumwise.com/forum/index.php?topic=3823.0
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Anders Blom
QuantumATK Staff
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Re: Inclusion of vdW in DFT
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Reply #2 on:
August 23, 2016, 14:21 »
Or simply
http://docs.quantumwise.com/tutorials/dispersion_corrections_and_bsse/
which you would have found by searching for "waals" on the tutorial portal
http://docs.quantumwise.com/
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Inclusion of vdW in DFT