Running NWChem


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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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Error: geom_verify_coords failed
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Raman and vibrational modes
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How to read the eigenvalues from the output?
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Performance of NWCHEM-6.5
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Expectation value of S2
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CCSD geometry optimization on the BSSE corrected surface!
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error running nwchem_openmpi in parallel
 2 10129 Mar 31st 1:34 am
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BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
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Excited state geometry optimization
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Frequency problem!!!!!!!!!!!
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Concatenating input files changes the Electron Transfer Coupling Energy
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ZORA fails with external point charges
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Car-Parrinello MD calculation problem
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quickest way to generate mm charges?
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prepare error
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md error
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segmentation fault running md example
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Forum >> NWChem's corner >> Running NWChem
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