Simplify M loading and support loading a smaller eph region than device#64
Open
jonaslb wants to merge 1 commit intotfrederiksen:masterfrom
Open
Simplify M loading and support loading a smaller eph region than device#64jonaslb wants to merge 1 commit intotfrederiksen:masterfrom
jonaslb wants to merge 1 commit intotfrederiksen:masterfrom
Conversation
Owner
|
Nice! Do you also have the modification (to |
Collaborator
Author
|
This I did with an entirely custom script - ie not using the Phonons command. |
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
This is a minor simplification - reading the coupling
Mwas done in two places and I moved it to a single method instead. Simultaneously I had a Phonon.nc file where I wanted to save e-ph couplings for a region smaller than the entire device region. I added support for this through a neweph_orbs_in_devvariable in the nc-file (this is the only place that it shows - i didn't document it...).