missing files

Phonons, DFPT, electron-phonon, electric-field response, mechanical response…

Moderators: mverstra, joaocarloscabreu

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ramanujan
Posts: 3
Joined: Mon Dec 12, 2016 12:52 am

missing files

Post by ramanujan » Thu Nov 30, 2017 2:49 am

Hello,

When running the job : ~/abinit/tests/tutorespfn/Input/temp_1.in with temp_1.files, only the following files are generated:
fort.98 log __pycache__ rf_final.py rf_final.pyc run.sh temp_1.files temp_1.in temp_1o_OUT.nc temp_1.out temperature_final.py

I am missing:
temp_1o_DS3_DDB # Name of the response-funtion (RF) DDB file
temp_1o_DS2_EIG.nc # Eigenvalues at $\mathbf{k+q}$
temp_1o_DS3_EIGR2D.nc # Second-order electron-phonon matrix element
temp_1o_DS3_EIGI2D.nc # Second-order electron-phonon matrix element for electronic lifetime
temp_1o_DS1_EIG.nc # Eigenvalues at $k$
(this is copied from the tutorial)

Also, the python script, temperature_final.py is different from the script tempearture_para.py found on: https://wiki.abinit.org/doku.php?id=tut ... emperature
I am confused about how to approach this tutorial with all these differences

Thanks for your help and comprehension

mverstra
Posts: 655
Joined: Wed Aug 19, 2009 12:01 pm

Re: missing files

Post by mverstra » Sun May 20, 2018 10:09 pm

Hi,

in the latest abinit version, this tutorial is called tutorespfn/tdepes. Could you try it as well (recompiling the latest version)? It seems your job did not get through even the first dataset, and crashed somehow. Do other tutorials work? You can also run "make check" from the abinit build directory to use the fast tests.
Matthieu Verstraete
University of Liege, Belgium

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