[Pw_forum] Fwd: Optimized tetrahedron method El-Ph Calculation Error

Isaiah Moses imoses87 at gmail.com
Thu Nov 23 13:20:18 CET 2017


Dear all,
I've successfully ran phonon and el-ph calculation for the tetra_example in
the qe-6.2 phonon example directory.

I've also ran the calculation for MgB by splitting the job among q-points
without any problem.

Running my hexagonal structure is however giving me error.

The phonon calculation for each q-points was done successfully but
proceeding to the electron-phonon calculation were stopped at the point
below.

I had ensured that wf_collect = .true. was specified in the pw run.

Reading dVscf from file dv
     Reading dynamics matrix from file Hex.dyn3
-------------------------------------------------------
Primary job  terminated normally, but 1 process returned
a non-zero exit code.. Per user-direction, the job has been aborted.
-------------------------------------------------------
--------------------------------------------------------------------------

I've checked to ensure the same name were used for the prefix, fildyn and
fildvscf
in both phonon and el-ph input files.


Any help in resolving this shall be greatly appreciated.

Isaiah


-- 
Isaiah Abu Moses
Graduate Student,
Physics Department,
University of Ibadan,
Nigeria



-- 
Isaiah Abu Moses
Graduate Student,
Physics Department,
University of Ibadan,
Nigeria
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