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 _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum
