van der Waals correction

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Bmodak
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van der Waals correction

#1 Post by Bmodak » Wed May 27, 2015 8:54 am

Hi
Can anyone tell me the most reliable approach for calculating van der Waals correction?
Some literature shows that DFT-D2 overestimates.
In case of DFT-D3 method, which one (IVDW=11, or IVDW=12, or IVDW=2 | 20) give more reliable information.
Thanking you in advance

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Brindaban Modak
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admin
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Re: van der Waals correction

#2 Post by admin » Mon Jun 01, 2015 2:34 pm

The comparison of different vdW methods is available in:
JOURNAL OF CHEMICAL PHYSICS Volume: 137,
Issue: 11, Article Number: 114105, DOI: 10.1063/1.4752196
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Bmodak
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Re: van der Waals correction

#3 Post by Bmodak » Mon Jun 01, 2015 2:54 pm

Thank you Very much Sir.
Have a nice day

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Brindaban Modak
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