[Q-e-developers] Patch for DFPT+tetra and FermiSurfer interface

[Mitsuaki Kawamura]

Dear Prof. Giannozzi

Hello,

I attached a patch file for the bug-fix in DFPT+tetrahedron and
FermiSurfer-interface.
It also add new feature to electron-phonon + tetrahedron.
This patch is applicable to QE rev. 13804.

Modified files are as follows:
* PHonon/PH/elph_tetra_mod.f90
* PHonon/PH/make.depend 
 The electron-phonon + tetrahedron become available together with q2r.x .

* PHonon/PH/matdyn.f90
 \omega_ln is also computed.

* PHonon/PH/prepare_q.f90
 [Bug fix] dfpt_tetra_linit should be initialized here for the multi-q
computation including Gamma point.

* PP/src/fermisurfer_common.f90
 [Bug fix] The routine to compute equivalent k-points was incorrect for
body/face/base-centered lattice with nk1/=nk2/=nk3.

Would you please apply this patch to the trunk?
I apologize for making your extra work.

Best regards,
Mitsuaki Kawamura

--
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Dr. Mitsuaki Kawamura
Software Advancement Team
Supercomputer Section
Materials Design and Characterization Laboratory
The Institute for Solid State Physics, Kashiwa, Japan
e-mail : mkawamura at issp.u-tokyo.ac.jp
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