NWChem functionality


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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
 0 9996 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
 0 12333 Dec 14th 2:51 pm
Edoapra

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Charged interstitial atom
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Is GIAO implemented in optical rotation with any gauge representation?
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nwmolden.F
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NEB Using Internal Coordinates?
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Time scaling of NWChem
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Ph1130835
Bond Breaking in MD
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Many, MANY imaginary modes
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xps simulation
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Geometry optimization
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Molecules with odd number of electrons
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a
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data distribution and work distribution
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NBO functionality
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mkccsd geometry optimization
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