General Topics


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Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
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problem with compilation
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Edoapra
How is HOMO-LUMO gap value calculated?
1 1476 May 11th 11:04 am
Edoapra
ã??NYTï¼?ï¼?ï¼?ã??ï½?ï¼ ï¼­ ì½?ë??â??UP&
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8383bmw
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LC-wPBE problem
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unknown SCFTYPE error
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convergence fails during mp2 calculations
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Can Nwchem optimize excited states with TD-LC-wPBE and TD-M06HF
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Marcel
2 atoms optimization failed
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NWChem CML code
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SMD Error
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a demonstration portal from CSI
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Fermi-Amaldi Factor
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FASTESP
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Calculating Density of a system
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Effective core potential (ECP): for atoms or for elements?
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Hua
Polarizability
3 1951 Feb 10th 8:11 am
Hua
Using NWChem to generate WFN files
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LonelySpooky
Torsion scanning error
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SCS-CCSD is bogus on restart
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problem in running a job in NWCHEM
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graphene isotope
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Different basis sets for the same atoms/molecules
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NMR and chemical shifts in NWChem
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geometry optimazation rings system
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antiferromagnetic coupling
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