DFTB-D in nwchem

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Lmyiop Member Profile Send PM
Clicked A Few Times Threads 28 Posts 31	11:00:09 PM PST - Sun, Mar 4th 2012 How can I use DFTB-D in nwchem?

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Forum Vet Threads 4 Posts 597	12:02:59 PM PST - Wed, Mar 7th 2012 While we do have the dispersion terms, we do not have the tight binding DFT (DFTB) functionality. Bert Quote:Lmyiop Mar 5th 6:00 am How can I use DFTB-D in nwchem?

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Just Got Here Threads 0 Posts 1	3:14:10 AM PDT - Mon, Mar 16th 2015 How to fix geometry did not converge error I am using DFTB+ to optimize molecules but geometry optimization fails as above .Please help

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