[Pw_forum] electron phonon

bhabya sahoo bdslipun at gmail.com
Wed May 16 06:36:11 CEST 2012

i want to calculate lambda (elph coefficients)
i calculated scf by 16.16.16 kpoint grid
and phonon by 4.4.4 grid for my TaC (TANTALUM CARBIDE )

but at q2r.x output shows the error

  q-space grid ok, #points =   64

      fft-check success (sum of imaginary terms < 10^-12)

   Preparing gamma for a2F

     from init : error #         1
      nc already filled: wrong q grid or wrong nr

     stopping ...

what is the problem ? is there i have to increse kpoint or decrese qpoint

thanks in advance

b sahoo
reserch scolar mumbai
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