[Q-e-developers] Fortran runtime error using the PHonon package

[Matthew Coak]

Dear Quantum Espresso Developers,

First of all let me thank you for putting together and releasing such an
impressive and comprehensive software package.

Unfortunately I am getting a runtime error

At line 104 of file ef_shift.f90 (unit = 6, file = 'stdout')
Fortran runtime error: Expected REAL for item 3 in formatted transfer, got
INTEGER
(5x,"Pert. #",i3,": Fermi energy shift (Ry) =", 2es15.4)
                                                                     ^

when I run ph.x and just after it begins the Self-consistent calculation
step.


I checked online and found the same issue reported some time ago:

http://qe-forge.org/pipermail/pw_forum/2014-July/104840.html

But the fix was to use the latest version - I am using an even later
version, 6.0 (on ubuntu linux), so that is no help.

The other suggestion in this link was to change variable def(3) to be
complex, but my ef_shift.f90 in the PH folder reads

MODULE efermi_shift
  USE kinds, ONLY : DP
  COMPLEX(DP),SAVE,PUBLIC :: def(3)

so it looks to me like it already is complex. I also can't work out how to
make edits to ef_shift.f90 then compile it into the code (it seems to
overwrite the file with a downloaded or extracted one after I edit it), so
I can't hack a solution myself. I have attached my input to ph.x and to the
original pw.x call.

I would be extremely grateful for any assistance you can give me

Thank you

Matt Coak


University of Cambridge
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