[Q-e-developers] Maybe incorrect expression in matdyn.f90

[Kawamura Mitsuaki]

Dear Quantum ESPRESSO developers

Hello.
Thank you for developing Quantum ESPRESSO!

I planed to write a code for calculation of Eliashberg function using
tetrahedra method, and I tried to consult the function "dos_gam" in
"matdyn.f90".
However, I wonder if one of expressions in this function is incorrect.
(The version of Quantum ESPRESSO is 4.3.1)

That is in function "dos_gam" in "matdyn.f90" line 2161. There is
P1 = o13 * (f12 + f12 + f14).
                  ↑
And I think it must be
P1 = o13 * (f12 + f13 + f14).
                  ↑
I get this expression by differentiating expressions (B2)-(B6) of [1]
with respect to E_F. 

I hope that you will advice me.

Sincerely yours,

Mitsuaki Kawamura

[1]"Improved tetrahedron method for Brillouin-zone integrations"
P.E.Blochl et al., PRB 49, 16223 (1994)

-- 
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The University of Tokyo
Department of Physics
Tsuneyuki Laboratory
Kawamura Mitsuaki
email : kawamura at cms.phys.s.u-tokyo.ac.jp
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