[QE-developers] Little error in vexx_k?

Lucas lucas.baguet at upmc.fr
Fri Dec 14 09:33:23 CET 2018


Dear QE developers,

I have a question concerning a routine in the "exx" library.

In "vexx_k", we want to apply the vexx potential to "m" vectors ("m" 
being an input parameter). However, the arrays "psi" and "hpsi" are 
declared with "max_ibands" as second dimension. "max_ibands" is not used 
elsewhere in the routine, but "m" is. Note also that in "vexx_gamma" the 
second dimension of "psi" and "hpsi" is "m".

Is there some reason for keeping "max_ibands" in that case?

Also, in both "vexx_k" and "vexx_gamma", a local array "fac" is declared 
and allocated but does not seem to be used.

Sincerely,
Lucas Baguet

PS : I noticed that point while working on the ACFDT code with Maria 
Hellgren and Lorenzo Paulatto at the IMPMC, Sorbonne Université, Paris.


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