Open
Conversation
… main procedures Comparison to calculated values still missing
…age and plotting tool Added the database to read screening (probably to be incorporated with others already existent...as an option)
Changes in the definition of the frequency range
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Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be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.
Introduced in Yambopy interpolate_aux_func.py, a class to perform the post-processing analysis of the auxiliary files of the W-av procedure. This used to be within the Yambo code in the QP_check_interpolate_W subroutine.
For interpolate_aux_func.py to work properly and compare with the numerical result, the whole screening database has to be read (both static and dynamic). A temporary em1db.py class to do so was created, to be discussed where it should be placed.
Introduced also Xmpa_freq_spectra.py, a class to reconstruct the frequency dependence of X_MPA, as built from the sum over poles.