[Pw_forum] ph.x error message

Lex Kemper lex at phys.ufl.edu
Mon Feb 9 08:54:54 CET 2009


Hello everyone,

I'm attempting to calculate the phonon DOS and a^2F(w) for a metallic
system. I've run an scf calculation, and was going through the steps (as
in example 7). Here is the elph.in file:

eph coupling for SNP
&INPUTPH
  outdir        = './tmp'
  prefix        = 'SNP'
  tr2_ph        = 1.0d-10
  fildyn        = 'SNP.dyn'
  fildvscf      = 'SNP.dv'
  trans         = .true.
  elph          = .true.
  ldisp         = .true.
  nq1 = 9
  nq2 = 9
  nq3 = 5
/


The error I get is, after the SCF steps:
 **************************************************************************
     electron-phonon interaction  ...


 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from lint : error #         1
     cannot locate  k point  xk
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...


Could someone help me fix this problem?

Thanks,

Lex Kemper
Department of Physics
University of Florida


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