Dear QE users,
Anyone knows how to modify the Raman configuration defined in the
dynmat.f90 code?
For example, I want to perform some polarized back-scattering Raman
configurations, i.e. Z(xy)Z', X(yy)X'.
According to PRB 54, 7830 (1996), the dynmat.f90 code write the raman
intenisty as
(45.d0*alpha**2 + 7.0d0*beta2)*amu_ry
with
alpha = (raman(1,1,nu) + raman(2,2,nu) + raman(3,3,nu))/3.d0
Beta2 = ( (raman(1,1,nu) - raman(2,2,nu))**2 + &
(raman(1,1,nu) - raman(3,3,nu))**2 + &
(raman(2,2,nu) - raman(3,3,nu))**2 + 6.d0 * &
(raman(1,2,nu)**2 + raman(1,3,nu)**2 + raman(2,3,nu)**2) )/2.d0
It is non-polarized Raman intensity. So, how to modify alpha and beta2?
Best regards,
Jiaxu Yan
Division of Physics and Applied Physics
School of Physical and Mathematical Sciences
Nanyang Technological University
21 Nanyang Link
Singapore 637371
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