[Pw_forum] electron-phonon interaction in QE 4.3

Jeffrey M. McMahon mcmahonj at illinois.edu
Thu May 5 05:57:56 CEST 2011

Dear All,

I am having an issue calculating the electron-phonon interaction in QE 4.3.
I do not know if this is due to a bug or my build of QE (most likely the
latter). After compiling, when I test the program example 07 stops with an
error in al.elph.out:

electron-phonon interaction  ...

     from efermig : error #         1
     internal error, cannot bracket Ef

It is not just example 07, but any electron-phonon calculation.  All other
tests and examples performed fine during testing. I tried compiling QE with
Intel compilers (version 10.1, I believe) as well as GNU compilers, first
version 4.3 and now 4.5-19.1, but the problem occurs in all cases. I also
tried using BLAS and LAPACK as provided by the Intel MKL as well as the
internal versions, and also FFTW3 and whatever is provided internally (and
various combinations of the aforementioned). I did not experience any issues
with QE 4.2.1 when compiled the exact same way.

Any suggestions would be appreciated. Thanks in advance.

Jeffrey M. McMahon

The Institute for Condensed Matter Theory
Department of Physics
University of Illinois at Urbana-Champaign
Urbana, IL 61801-3080
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