| 2:21:57 AM PDT - Wed, Jul 18th 2012 |
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Would you please to explain how does the calculation time depends on the number of atoms (basis functions) in NWChem in DFT/STO-3G (NWPW)/B3LYP method.
And one more question. How does the memory size influence the maximum number of atoms which is possible to calculate by this method? How many atoms it is possible to calculate by this method?
Thank you in advance.
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