Dear All,<div><br></div><div>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:<br>
<br>electron-phonon interaction ...<br><br>%%%%%%<br> from efermig : error # 1<br> internal error, cannot bracket Ef<br>%%%%%%<br><br>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.<br>
<br>Any suggestions would be appreciated. Thanks in advance.<br>
<br><div style="border-collapse:separate;font-family:arial;font-size:small">Jeffrey M. McMahon</div>
<div style="border-collapse:separate;font-family:arial;font-size:small"><br></div><div style="border-collapse:separate;font-family:arial;font-size:small">The Institute for Condensed Matter Theory</div><div style="border-collapse:separate;font-family:arial;font-size:small">
Department of Physics</div><div style="border-collapse:separate;font-family:arial;font-size:small">University of Illinois at Urbana-Champaign</div>Urbana, IL 61801-3080</div>