d3q Code

Possibility to do a calculation with nbnd_occ = nbnd, added as debug option

alignment fix

quick return of the ij term when the fermi shift is zero (i.e.e high symmetry crystal)

better code alignment

--This line, and thos below, will be ignored--

M incdrhoscf2.f90

Tentative try to get the same result with nbnd_occ = nbnd and without, also without breaking the code in the insulating case when nbnd>nelec/2

I'm relatively convinced that the correct nbnd_occ to use in solve linter is the one at ik_wfc (i.e. at k) and not at ik_prj (i.e. k-q in the simple case), but I'm not 100% sure. However, it does go much better like this

Also, it is still not perfect, and there are more residualse in the FFT when using this with respect to using nbnd_occ=nbnd

Add two directory links: D3Q and d3q-latest

Little impreovement, bugfix

Checkpoint to solve the nbnd_occ problem one ancd for all,
next step: find out if the nbnd_occ should be the one of ik_proj or of ik_wfc

A little cleanup before some serious change

Little edit