Hey all,
I'm wondering about how I would count the total number of basis
functions QE is using in a given calculation. I see some portions in the
output file that may be related to this, but I'm not an expert so
reading the output is somewhat challenging. The two portions I think
might be related to this are below. my best guess is that that it is the
PW column below, and thus 1677 basis functions are used for this
calculation. Also, if you have any information on how the number of
basis functions to be used is decided I'd love to hear it.
Thanks,
Ben Comer
Georgia Tech
G-vector sticks info
--------------------
sticks: dense smooth PW G-vecs: dense smooth PW
Sum 499 199 55 51837 13151 1677
Dense grid: 51837 G-vectors FFT dimensions: ( 27, 27, 160)
Smooth grid: 13151 G-vectors FFT dimensions: ( 18, 18, 108)
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