• timrov's avatar
    Upgrade of the TDDFPT codes using the new logic of the global indices igk_k(1:3,ik) and ngk(ik). · 7e4e1d92
    timrov authored
    More specificaly:
    1) Remove global variable npw (from wvfct) and use ngk(ik) (for optical TDDFPT codes) 
       or ngk(ikk) with ikk=ikks(ik) (for turboEELS). In some routines, ngk is assigned to
       the local variable npw, i.e. npw=ngk(ik), and in other routines ngk is used directly.
    2) Remove global indices igk(1:3) (from wvfct) and use igk_k(1:3,ik) (for optical TDDFPT codes)
       or igk_k(1:3,ikk) with ikk=ikks(ik) (for turboEELS).
    3) Remove global variable npwq (from qpoint) and use the local variable with the same name,
       which is defined as npwq=ngk(ikq) with ikq=ikqs(ik) (i.e. index of the point k+q).
    4) Remove global index variable igkq(1:3) (from qpoint) and use the global index variable
       igk_k(1:3,ikq) with ikq=ikqs(ik).
    git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12487 c92efa57-630b-4861-b058-cf58834340f0
addusdbec.f90 3.54 KB