[Pw_forum] problem with phonon calculation

[Arun Kumar Manna]

 Dear All,
 I am getting error during calculation of phonon at gamma point.
 Error message is following:
      Calling punch_plot_e
     Writing on file  drho



     Computing Pc [DH,Drho] |psi>

     Derivative coefficient:  0.001000    Threshold: 1.00E-12

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from cdiaghg : error #       176
     info =/= 0
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
 After successful scf run, for phonon calculation, the following input I
 have used.

 phonons of Grap at Gamma
 &inputph
   tr2_ph=1.0d-12,
   prefix='grap',
   trans=.true.,
   lraman=.true.,
   amass(1)=12.00,
   outdir='/sfs3/usr/local/48atom_grap',
   fildyn='grap.dynG',
 /
0.0 0.0 0.0
 But the above input for phonon calculation is ok for small system(I have
 checked with 10 atoms per unit cell).
 For my case, the system contains 48 atom per unit cell

 Could anyone please help me how will I handled such big system?.

 Thanks in advanced,
 Arun


-- 
PhD Student
JNCASR, Bangalore-560064
India