[QE-users] Counting Basis Functions

[Ben Comer]

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)