[Pw_forum] qe_6.0 nr fixed in q_gen subroutine

Antoine JAY antoine.jay at polytechnique.edu
Tue Nov 15 09:00:34 CET 2016


Dear community and developers,

Looking at the code of qe_6.0

I am wondering why in PHonon/PH/matdyn.f90
subroutine q_gen

the values nr1, nr2 and nr4 are fixed to be 4:
INTEGER, PARAMETER:: nr1=4, nr2=4, nr3=4

whereas they should be fixed as nr1=nq1, nr2=nq2, and nr3=nq3.
as done by the first call of read_ifc_param(nr1, nr2, nr3).

Is there a physical meaning?
Is this subroutine right if someone don't whant a 4^3 q-mesh?

Antoine Jay




More information about the users mailing list