[Pw_forum] the question of el-ph

[wang yanchao]

Dear All,

When I calculate the el-ph using the espresso-2.1.5, a very dense mesh is
used to get goog convergence. I have changed the value of npk in parameters.
I beleve it is enough big to our calculation. But when I calculate the
q-point of no symmetry, the results were not saved to output file.
The output follow:
"  ........
    Atomic displacements:
     There are   6 irreducible representations

     Representation     1      1 modes - To be done

     Representation     2      1 modes - To be done

     Representation     3      1 modes - To be done

     Representation     4      1 modes - To be done

     Representation     5      1 modes - To be done

     Representation     6      1 modes - To be done
     PHONON       : 10m 9.50s CPU time"

The  other content isn't shown in the file.

So I want to know if there is some limitation of output file in
espresso-2.1.5.

Thanks in advance.

Sincerely

Yanchao

-- 
Yanchao Wang
National lab of Superhard Materials,JiLin Univ.Changchun 130012,P.R.China
Email:wyanchao at gmail.com <Email%3Awyanchao at gmail.com>
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