From NWChem
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Bert Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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| 12:02:59 PM PST - Wed, Mar 7th 2012 |
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While we do have the dispersion terms, we do not have the tight binding DFT (DFTB) functionality.
Bert
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Just Got Here
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| 3:14:10 AM PDT - Mon, Mar 16th 2015 |
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How to fix geometry did not converge error
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| I am using DFTB+ to optimize molecules but geometry optimization fails as above .Please help
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