The ABINIT Users Mailing List ( CLOSED )

[Thanusit Burinprakhon <thanusit@kku.ac.th>]

Dear all

I've read a message posted in the forum a while ago about digging out the
phonon DOS from a log file. I've tried so by looking at the log file obtained
in the tutorial lesson trf2_7 (thermal properties calculation). The part in 
the
log file that appears to be the DOS data looks like below :
--------------------------------
thm9: iwchan,igqpt(:),norm,error=  4    20    20    20   24000.0   0.23193
 DOS with channel width=     4 newly converged
       1        3.0     0.00013
       2        0.0     0.00000
       3        0.0     0.00000
       4        0.0     0.00000
       5       12.0    0.00050
       6       12.0    0.00050
       7        0.0     0.00000
       8       34.0    0.00142
       9        0.0     0.00000
      10       36.0   0.00150
      11       60.0   0.00250
      12       60.0   0.00250
      13        0.0    0.00000
....and .. so on---------

Is this the right place to get the phonon DOS?
If so, (1) does the left and middle columns correspond to the phonon
frequencies and DOS values, respectively,? (2) Is it correct to get the phonon
frequency in cm-1 by 
      freq = (channel number*channel width) - (channel width/2)?

Could anyone please give me some suggestions?

Regards,
Thanusit Burinprakhon

Physics Department
Khon-Kaen University, Khon Kaen
Thailand