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upgrade qe-plugin , include nbands_factor to PdosWorkChain #965

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AndresOrtegaGuerrero
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In this PR , we solve the issue of the PDOS and BandStructure not matching the energies.

newplot (1)

Now the PDOS and BANDS match

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codecov bot commented Dec 2, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 67.81%. Comparing base (2463cb5) to head (c769596).
Report is 1 commits behind head on main.

Additional details and impacted files
@@            Coverage Diff             @@
##             main     #965      +/-   ##
==========================================
+ Coverage   67.78%   67.81%   +0.03%     
==========================================
  Files         110      110              
  Lines        6218     6221       +3     
==========================================
+ Hits         4215     4219       +4     
+ Misses       2003     2002       -1     
Flag Coverage Δ
python-3.11 67.81% <100.00%> (+0.03%) ⬆️
python-3.9 67.84% <100.00%> (+0.03%) ⬆️

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@cpignedoli cpignedoli left a comment

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ok from my side

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@superstar54 superstar54 left a comment

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Thanks for the work! LGTM!

@AndresOrtegaGuerrero AndresOrtegaGuerrero merged commit 7bb67ae into aiidalab:main Dec 3, 2024
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@AndresOrtegaGuerrero AndresOrtegaGuerrero deleted the adding_nbands_factor_PdosWorkChain branch December 3, 2024 11:04
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3 participants