[Pw_forum] Symmetrized el-ph coupling
Andrea Marini
Andrea.Marini at roma2.infn.it
Mon May 22 14:04:08 CEST 2006
Dear forum users,
I am trying to use PW to calculate the electron-phonon matrix elements
(EPME) to perform external self-energy based calculations.
I have studied the elphon.f90 routine and I have understood the way PH
builds the EPME and how it sums them in the lambda/gamma factors.
My problem is the call to the symdynph_gq routine to symmetrize the
el_ph_sum array (that contains the sum of the square EPME).
As I need the EPME and not their square I do not understand how to perform
the symmetrization on the el_ph_mat array (and not on the summed array
el_ph_sum) in such a way to get exactly the same results for the physical
lambda/gamma factors.
Thanks
Andrea Marini
--------------------------------------------------------------------------
Andrea MARINI
Physics Department, University of Rome "Tor Vergata" (Italy)
- phone: +39-0672594894 - fax: +39-062023507 -
-- andrea.marini at roma2.infn.it - http://www.fisica.uniroma2.it/~marini/ --
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