[QE-users] Estimating execution time - PW user guide

Hayden Oliver holiver at tracy.com
Tue May 22 00:26:02 CEST 2018


Dear All,

I've tried to use the equations listed in section 4.1 of the PW User Guide to estimate the execution time of various pw calculations. However, my calculated results are so far off my actual results I don't know how I can resolve it myself. I believe the problem stems from the values of the prefactor variables listed for the various calculations. Unfortunately, I have no idea where to go to find the values or value ranges of the prefactor variables a, b, c, d, & e.
Where can I find a more thorough explanation of how this works? If there isn't one; is there a calculator in the source code that will run these estimates?
Thank you,
Hayden Oliver
TRACY
Provo, UT 84606
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