The ABINIT Users Mailing List ( CLOSED )

[chaohao.mse@gmail.com]

Dear abiniters,

I run the test on the seconde lesson on response functions (RF2). Everything 
is fine. But now I want to obtain the phonon density of states (pDOS) except 
for phonon band structures. So I only change the value of "thmflag" to 1 in 
the fourth sub-section of this tutorial. But the anaddb program is stopped 
and the following information appears in the log file.

===========
 anaddb   : start phonon density of states calculation

-begin at tcpu      1.499  and twall      1.499 sec
 thm9 : begin at tcpu     1.4987  and twall     1.4990 sec
 thm9 : initialized
       Homogeneous q point set in the B.Z.
        Face-Centered Lattice Grid
 Grid q points  :        1
  1)   0.00000000E+00  0.00000000E+00  0.00000000E+00
 thm9 : exit smpbz
 symkpt : found identity, with number  1
 symkpt : not enough symmetry to change the number of k points.
 thm9 : in the loop over grids, after symkpt
  tcpu     1.5001 twall     1.5000 sec
  gtdyn9 : enter ftiaf9 with q =    0.00000E+00    0.00000E+00    0.00000E+00
 gtdyn9 : enter dymfz9
 gtdyn9 : exit dymfz9
 gtdyn9 : enter ewald9
 gtdyn9 : finished
 thm9: g(w) and gij(k|w) calculated given a q sampling grid.
 thm9 : iwchan=    10
 thm9 : compute g, f, e, s, c
 thm9 : BUG -
  Frequencies are missing in g(w) : ggsum,iwchan=  6.000000E+00    10
  gnorm=  0.000000E+00.
  Action : contact ABINIT group.

.Delivered    4 WARNINGs and   0 COMMENTs to log file.

 leave_new : decision taken to exit ...
============

Neet it change other parameters? Any hint is appreciated, since I am a new 
user of this code.

Best regards,
C.H. Hu