NWChem functionality
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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
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Jun 7th 4:53 pm
Edoapra
Locked Sticky:
NWChem 7.0.0 available for dowload
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Dec 14th 2:51 pm
Edoapra
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TD-DFT - units of transition moment
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Mlundie
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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Does the TCE officially support QCISD(T)?
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How to obtain the gshift tensor
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Time scaling of NWChem
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Bond Breaking in MD
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Gaussian-N composite thermochemical methods
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Adding a charge to a DFT calculation
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2404
May 7th 5:03 am
Dot matrix madness
Many, MANY imaginary modes
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Apr 29th 8:11 am
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xps simulation
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density fitting in TDDFT didn't work with symmetry
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Geometry optimization
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Apr 2nd 6:42 am
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Molecules with odd number of electrons
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a
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Saeed1
data distribution and work distribution
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NBO functionality
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2123
Feb 13th 3:14 am
Mpol
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