NWChem functionality


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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
 0 9997 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
 0 12336 Dec 14th 2:51 pm
Edoapra

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Charged interstitial atom
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AlexanderLV
Is GIAO implemented in optical rotation with any gauge representation?
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nwmolden.F
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How to obtain the gshift tensor
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NEB Using Internal Coordinates?
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Williamt
Time scaling of NWChem
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Ph1130835
Bond Breaking in MD
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Saeed1
User-defined External Potential
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Hamiltonian Matrix
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Gaussian-N composite thermochemical methods
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Adding a charge to a DFT calculation
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Dot matrix madness
Many, MANY imaginary modes
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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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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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Mpol
mkccsd geometry optimization
 2 2263 Feb 12th 7:03 pm
Vladimir

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