How to calculate the phonon-electron scattering rate using the phoebe?

[Guodonglin-cqust]

I want to study the effect of phonon-electron scattering on the lattice thermal conductivity, but i do not know how to calculate the phonon-electron scattering rate using the phoebe?

[jcoulter12]

Thanks for your interest in Phoebe!

Up to now, we've just had the phonon-electron scattering contribution on a separate branch of the repository, though it's ready for use. I'll release it (along with its tutorial for use) ideally in ~a day.

When I do, I'll send you a message here, and can then help answer any further questions about the calculation.

Best,
Jenny

[jcoulter12]

Hi @Guodonglin-cqust,

Just to update you, the ph-el tutorial should now be online. Thanks for your patience -- I took a little longer, but was able to further accelerate it.

If you find any difficulty with the tutorial, let me know and I can help. We also appreciate the feedback on these tutorials, as we try to make them as straightforward as possible and are happy to update them if anything is confusing.

Thanks,
Jenny

[jcoulter12]

An additional note because there was a bug in Read The Docs that caused the tutorial not to build at first.
It's now located here.
https://phoebe.readthedocs.io/en/develop/tutorials/thermalCondOfMetals.html

If you just want to know about the lattice thermal conductivity, follow the steps to generate the el-ph input files and ph-ph input files, then skip to step 2.

[Guodonglin-cqust]

Hi Jenny,

 Thank you very much, but i meet the following problems when installing the code by  typing  "make -j 32"

cc1plus: warning: unrecognized command line option ‘-Wno-deprecated-copy’
cc1plus: warning: unrecognized command line option ‘-Wno-deprecated-copy’
make[2]: *** [CMakeFiles/phoebe.dir/build.make:272: CMakeFiles/phoebe.dir/src/apps/qe_to_phoebe_utils.cpp.o] Error 1
cc1plus: warning: unrecognized command line option ‘-Wno-deprecated-copy’
cc1plus: warning: unrecognized command line option ‘-Wno-deprecated-copy’
cc1plus: warning: unrecognized command line option ‘-Wno-deprecated-copy’
cc1plus: warning: unrecognized command line option ‘-Wno-deprecated-copy’
At global scope:
cc1plus: warning: unrecognized command line option ‘-Wno-deprecated-copy’
cc1plus: warning: unrecognized command line option ‘-Wno-deprecated-copy’
cc1plus: warning: unrecognized command line option ‘-Wno-deprecated-copy’
make[1]: *** [CMakeFiles/Makefile2:434: CMakeFiles/phoebe.dir/all] Error 2
make: *** [Makefile:146: all] Error 2

Could you tell me how to solve this problem, thanks.

[jcoulter12]

Hi @Guodonglin-cqust,

Can you show me the procedure you used to build phoebe up to this point?
Additionally, there is likely another line which says "error" somewhere above, which specifies what actually went wrong.

In order to best help, it would be good if you perhaps attached your initial cmake output as well as the full make output.

Thanks,
Jenny

[Guodonglin-cqust]

Hi Jenny,
i attach the output of cmake and full make.
Thanks.
cmake.txt
fullmake.txt

[jcoulter12]

Hi @Guodonglin-cqust,

I can see a few things wrong with your cmake.

-- The C compiler identification is GNU 8.2.1
-- The CXX compiler identification is GNU 8.2.1
-- The Fortran compiler identification is Intel 19.1.2.20200623

First, somehow, you have a Intel for Fortran and GNU for C/C++. This seems suspicious.

Secondly, I would suspect you've made a key mistake (and one people commonly make when building codes!) -- you can see that cmake has found many copies of dependencies belonging to Anaconda. For example, your HDF5 is:
-- Found HDF5: /home/Anaconda3/lib/libhdf5.so (found version "1.10.6")
These copies won't work for applications outside of python.

This likely happened because you currently have a conda environment turned on, and it's obscuring your system copies of these libraries. Try either "conda deactivate" or "source deactivate", remove the entire build directory, create a new one, and try again, checking to see the CMake has identified the correct paths to things like HDF5.

If you're still having this issue after rebuilding without conda envs loaded, you may want to use the environment variables CC, CXX, and F90 to specify paths to the correct intel or gnu compilers (perhaps by using which gcc, which gfortran, and which g++ to determine them.

Best,
Jenny