That is hard to say as the calculation time will depend on the hardware, the number of processors used and if memory or disk are used. Some examples can be found on the benchmarks page: http://nwchemgit.github.io/index.php/Benchmarks .
With NWPW/B3LYP you mean plane-wave DFT? We do not have the B3LYP functional but do have the PBE0 functional there.
Bert
[QUOTE=Dmitry Jul 18th 9:21 am]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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