[Pw_forum] a2Fq2r.*

[Eyvaz Isaev]

Dear Rhee,

--- On Fri, 5/28/10, Hahnbidt Rhee <hrhee at ucdavis.edu> wrote:

> What exactly are in the files a2Fq2r.* (the suffix ranging from 51 to > 60), which are generated during an el-ph calculation?  The format of 
> these files are like those of the dynamical matrices, but they are not > the same.

They are Eliashberg function (\alpha^2F(\omega)) calculated for 10 degauss (ranging from 0.005 till 0.05 by default) which are then used to evaluate lambda.

> How are they related to the dynamical matrices? 

Not sure they are related.

> Why are there 10 of them, and how are these related to each other? 

This one is due to double delta in the \gamma function which enters to the Eliashberg function. As integration of double delta is a hard problem, the summation in the BZ is performed by special points and broadening techniques. Different values for delta (10 by default) is used to find converged (w.r.t. delta) lambda.

So, they are not related.  
 
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