Jenny Coulter

Results 14 issues of Jenny Coulter

We receive a lot of requests to implement four-phonon scattering processes in the phonon scattering matrix. While at present this isn't an active development target for us, to keep track...

enhancement
New feature

ScaLAPACK is likely slower and more cumbersome to use. As we already have the blacs setup, we should see if it's possible to convert to ELPA.

enhancement
good first issue

HDF5 read write should be refactored for two key reasons: 1) HighFive has made changed a number of things in the syntax for their parallel read/write functionality. 2) We are...

enhancement
good first issue

The print input summary function is very unwieldy and overly complicated as it was at first done by hand. It should be updated to be part of the checkRequirements function...

enhancement

There's an extra app in Phoebe for plotting el-ph matrix elements along a given path, written previously by Andrea. This should be updated with comments and given a mention in...

documentation
enhancement
good first issue

Currently, our test suite only does calculations for silicon, which does not have long-range correction values. Additionally, we do not test the 2d case. We should add small test cases...

enhancement

Currently we read phonopy.yaml files using regular text parsing to avoid including a yaml library as an extra dependency. However, the phonopy formats often change, and this makes this part...

enhancement
good first issue

Based on what we already have, it should be simple to also include the phonon self energy correction due to the electron-phonon interaction. It will also need to be incorporated...

enhancement
New feature

It might be interesting to add an application to calculate polaron-related properties.

New feature

### Summary of changes: This PR is a bit more mixed than it should be -- however, it includes several small bugfixes that likely do not affect most users, several...

bug
documentation
enhancement