[Pw_forum] sum over lambda(q)

Ali Tavana anavat_ila at yahoo.com
Tue Jul 21 14:26:31 CEST 2009


Dear all,

I want to sum lambda(q,mode) (e-ph coefficient) over BZ for each mode. From the number of the starts of each q-point I calculate the weights for each q point (number of stars of that q point/total number of starts of all q points). Then I do a summation over q points in IBZ (lambda(q,mode)w(q)). But when I calculate the total lambda from the summation over all the modes I get a different value from what QE itself calculates by matdyn program (matdyn calculates it from the integration of Eliashberg's function). So do you think I haven't do it correctly or what has caused this difference (about 20-30%)?

Should I also take into account the electronic part by some means? I asked it because I've change one electronic structure parameter but the trends of total lambda of main and QE are different.

Thank you in advanced.
Ali


      



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