[Pw_forum] Error/Warning in Ph.x (Paolo Giannozzi)

ramesh kumar raamesh123 at rediffmail.com
Mon Sep 10 13:53:10 CEST 2012


Dear Prof Paolo
Thank you for the answer. Here with i am attaching my input file.

Electron-phonon coefficients for pd2ZrGa12.2nm-alpha
 &inputph
  tr2_ph=1.0d-10,
  prefix='pd2ZrGa12.2nm-alpha',
  fildvscf='Pd2ZrGadv',
  amass(1)= 91.224 
 amass(2)= 106.42
 amass(3)= 69.723 
  outdir='/home/ramesh/tmp/',
  fildyn='Pd2ZrGa.dyn',
  electron_phonon='interpolated',
  trans=.true.,
  ldisp=.true.
  nq1=2, nq2=2, nq3=2
 /
Apart from the error msg the calculation is running and showing convergence for all the modes. 
with regards
ramesh


With regards

K. Ramesh Kumar
Research Scholar
Department of Physics
IIT-Madras
Chennai-600 036
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