[Pw_forum] a2F.dos.1

[Eyvaz Isaev]

Hi,

Yes, the first column is energy, the second one is total a2F.dos, and last 15 
columns stand for 

mode-projected a2F.dos for each mode. I suppose you have 5 atoms in your unit 
cell.

Bests,
Eyvaz.  

 -------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, 
Sweden 

Theoretical Physics Department, Moscow State Institute of Steel & Alloys, 
Russia, 

isaev at ifm.liu.se, eyvaz_isaev at yahoo.com



----- Original Message ----
From: wangwei <wangweiphysics at yahoo.com.cn>
To: pw_forum at pwscf.org
Sent: Tue, November 23, 2010 3:49:48 AM
Subject: [Pw_forum] a2F.dos.1

Dear sir,

I am calculating phonon properties, the file a2F.dos.1 as follows:

  Eliashberg function a2F (per both spin)
   frequencies in Rydberg
  DOS normalized to E in Rydberg: a2F_total, a2F(mode)
       0.000061     -0.00000891     -0.00000529     -0.00000367      
0.00000005      0.00000000      0.00000000
       0.000000      0.00000000      0.00000000      0.00000000      
0.00000000      0.00000000      0.00000000
       0.000000      0.00000000      0.00000000
       0.000183     -0.00024046     -0.00014282     -0.00009910      
0.00000146      0.00000000      0.00000000
       0.000000      0.00000000      0.00000000      0.00000000      
0.00000000      0.00000000      0.00000000
       0.000000      0.00000000      0.00000000
       0.000305     -0.00120382     -0.00075069     -0.00045991      
0.00000678      0.00000000      0.00000000
     ............................ 

As we can read from header lines, the first column is frequency, the second 
column is a2F_total, but I do not understand what the last four columns 

stand for?


Thanks for any reply!

Best wishes!

wangwei
Huaibei Normal University


      

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