Compute the IBZ at only one place in EPW

Samuel Poncérequested to merge
sponce24/q-e:develop into develop

  • Make bztoibz and s_bztoibz global arrays that are computed only once.

  • Remove kinds_epw.f90 as it is not supported by all compiler. Use KIND = 2 when needed instead.

  • Restructure grid.f90 to make it more modular

  • Create the symm_mapping subroutine to make transport_iter more modular.

  • Various small cleaning.

  • Fix of number of symmetries in the case of mp_mesh_k == .true. for materials with space group such that the number of Bravais lattice symmetry operations (nrot) is different from the number of crystal symmetry operations (nsym). Materials with time-reversal but no inversion symmetry and nrot = 2 * nsym are not impacted. In the case of the FCC Bravais lattice systems, the only impacted one are the 196, 202 and 203 space groups.

Samuel and Hyungjun

Edited by Samuel Poncé

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