[QE-users] [SPAM] alpha2f.x problem

[ukawamura u]

Dear Roc

Thank you for reporting.
As you said, a bug was made in alpha2f.x at the change of the
tetrahedron method in QE7.3.
We fixed that in the develop branch by modifying PHonon/PH/alpha2f.x as
https://gitlab.com/QEF/q-e/-/merge_requests/2258

Best regards,
Mitsuaki Kawamura

Mitsuaki Kawamura
Data Science Research Division, Information Technology Center, The
University of Tokyo
e-mail: mkawamura at ds.itc.u-tokyo.ac.jp

2024年1月17日(水) 16:48 526587466--- via users <users at lists.quantum-espresso.org>:
>
> Dear Developers,
>
> It seems that there is a bug for the  alpha2f.x  command when I did a test of the latest version QE7.3, i.e., the example of  qe-7.3\PHonon\examples\tetra_example.
>
> It seems to sleep after printing the following information,
>
> ....................
>    Calculation of alpha2F
>
>      Number of Frequencies :          500
>      Frequency Step [Ry] :   5.770022530285302E-006
>      [opt_tetra]  Optimized tetrahedron method is used.
>
>
> So, what is the matter?  How to solve this problem?
>
> Thanks very much.
>
> Best,
>
> Roc
>
> HTU
>
>
>
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