Hi Quantum espresso users.
I would like to predict an approximate CPU time usage to finish one scf
calculation in quantum espresso for a system with 5 supercells. I have the CPU
time usage for the same sytem with one supercell.So are there any possible
ways to predict the time needed for more number of supercell (for the same
system) required in quantum espresso,without doing the simulations.Can I
calcuate it from the following method
Tscf= NiterTiter + Tinit
Thanks and Regards.
Dimpy
Dimpy Sharma
ETG-Group
Tyndall National Institute
Cork
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