d3q Code

Added a small bash script that applies the sum rule directly to the fildyn files

Also, previous tools improved slightly

Better stopping on error

New debug option to write D3 matrices that do not match after imag part of FCs has been stripped

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