-
Federica may check if we can not link directly into vibroscopy with our single point (#2) and optimisation (#3) already once they are done
- [x] #39
- [x] #40
-
When doing a fine phonon bandstructure calculation (specifying the path and then doing continuations with increasingly small PHONON_FINE_KPOINT_PATH_SPACING), there is a slightly weird behaviour with …
-
mesh, that is passes to run mesh shall be a cli option, also is missing for run_thermal
-
I want to simply visualize the ascii files printed by phonopy.
I am using` ./ascii-phonons -b /Applications/Blender.app/Contents/MacOS/Blender ../../animations/animation_G.ascii` .
The call bre…
-
It would be useful/necessary to write the phonon branch in such a way that it can be called from another type of calculation when it is necessary to compute a hessian.
It also has to contemplate the …
-
Hi Jacob. and Toma,
I'm trying to consider thermal diffuse scattering with abTEM. I noticed in the example you offered, the sigma value is chosen to be 0.1 (https://abtem.github.io/doc/user_guide/w…
-
Currently the Multiprocessing works by assigning the phonons to the subprocesses before they are started which results in some finishing before others.
Ideally this should be handled by a worker poo…
-
Dear developers,
I just want to give contribution on this function. There is a warning saying that "This subroutine is not tested yet, use it with care." I do find the unit in this function is inco…
kw600 updated
11 months ago
-
This was a request by Stepan/Mona some time ago. It should be relatively simple to implement.
-
Normally a card application implements certain countermeasures to protect contained assets from attacks. Like blocking a PIN code and thus use of a card until a PUK/unblock, deleting sensitive assets …