eyvaz_isaev at yahoo.com
Sat Apr 26 18:55:32 CEST 2003
Now I am testing Electron-phonon coupling of Al using
the code you sent. It looks good (I used 10 special
q-points according to Chadi-Cohen), but there is some
difference (at least by a factor 2) between \lambda
averaged over the BZ and \lambda via integration of
Eliashberg spectral function.
I have to note that there is some disagreement between
units. Emax is given in THz, later omega is multiplied
by 3289.828 in order to convert it to Ry which results
in zero alpha2F. When I tried to divide both "e" and
"omega" by 3289.828, I got \lambda \approx 0.19.
Another thing wich is not good is <log w>. It is
lower than an order of magnitude derived by Savrasov.
Results of calculations are attached.
Could you please give me some advice to fix this
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