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SMTG-Bham
/
easyunfold
Band structure unfolding made easy!
https://smtg-bham.github.io/easyunfold/
MIT License
42
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11
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Fermi Surfaces for Unfolded Band Structures
#52
scientistminion
opened
2 days ago
3
Improve k point labelling when there are discontinuities in the path
#51
zhubonan
closed
2 weeks ago
3
compatibility with Quantum Espresso
#50
aktariitkgp
closed
2 months ago
1
There are flat bands in unfolded band structure of supercell structure (K-paths are not recognized well)
#49
Douwz
closed
2 weeks ago
3
Impact of Primitive Cell Choice on Calculated Material Properties with easyunfold.
#48
hongyi-zhao
closed
5 months ago
1
export to gnuplot data format
#47
nityasagarjena
closed
5 months ago
1
Does this package support `Band re-ordering`?
#46
hongyi-zhao
closed
5 months ago
1
Update joss paper files
#45
zhubonan
closed
8 months ago
1
effective mass fitting improve
#44
zhubonan
closed
8 months ago
5
Merge Paper branch
#43
zhubonan
closed
9 months ago
0
minor edits on paper.md
#42
mbarzegary
closed
9 months ago
1
Compatibility with other DFT packages
#41
awvwgk
closed
9 months ago
2
Suggestions for the publication
#40
srmnitc
closed
9 months ago
2
Fix wrapping kpoints at -0.5/0.5
#39
zhubonan
closed
10 months ago
0
Define the convention of the transformation matrix properly
#38
zhubonan
closed
8 months ago
1
Update commensurability warning
#37
kavanase
closed
10 months ago
1
How to seek support for the software?
#36
srmnitc
closed
9 months ago
1
Documentation does not specify how to run tests
#35
srmnitc
closed
9 months ago
1
Expedited `PROCAR` Parsing
#34
kavanase
opened
11 months ago
0
Update README.md
#33
alexsquires
closed
12 months ago
1
Fix a bug when parsing PROCAR with spin polarsation
#32
zhubonan
closed
1 year ago
1
ValueError: Cannot found kpoint [ 0.5 -0.5 0. ] in PROCAR files
#31
khaledb9
closed
11 months ago
3
Issue with projected band plotting
#30
khaledb9
closed
10 months ago
7
Update the package name in the logo
#29
zhubonan
closed
1 year ago
0
Soc `PROCAR` handling and more
#28
kavanase
closed
1 year ago
12
Dos plotting
#27
kavanase
closed
1 year ago
9
Improve CLI options and minor time-reversal fix
#26
zhubonan
closed
1 year ago
2
Fix bugs handling time-reversal symmetry
#25
zhubonan
closed
1 year ago
0
Code clean-up, CI update and add custom matplotlib stylesheet
#24
zhubonan
closed
1 year ago
1
Sk docs update
#23
kavanase
closed
1 year ago
2
Update documentation and allow tweak figure sigze
#22
zhubonan
closed
1 year ago
0
Update documentation
#21
zhubonan
closed
1 year ago
1
Adding support for CASTEP
#20
zhubonan
closed
1 year ago
1
Correct code coverage badge
#19
zhubonan
closed
1 year ago
0
Bump version and prepare for pypi release
#18
zhubonan
closed
1 year ago
1
Documentation update
#17
zhubonan
closed
1 year ago
1
Improve effective mass detection and plotting
#16
zhubonan
closed
1 year ago
0
Rethink about the documentation system
#15
zhubonan
closed
1 year ago
3
Update ci.yaml
#14
zhubonan
closed
1 year ago
1
Update docs-deploy.yaml
#13
zhubonan
closed
1 year ago
0
code refectoring and test coverage improvements
#12
zhubonan
closed
1 year ago
0
increase code coverage
#11
zhubonan
closed
1 year ago
1
Potential Minor Improvements
#10
kavanase
closed
1 year ago
4
Update CI Docs
#9
zhubonan
closed
1 year ago
1
Allow customized terminal color for projected spectral function
#8
zhubonan
closed
1 year ago
2
Fixed the labelling when printing the symmetry information
#7
adair-nicolson
closed
1 year ago
1
styling the plot using `mplstyle` file
#6
zhubonan
closed
1 year ago
3
Initial feedback - hybrid folders
#5
joebesity
closed
8 months ago
4
Add functionality for getting atomic projections for correct spectral function plotting
#4
kavanase
closed
1 year ago
13
investigate how to do spilt kpoints
#3
zhubonan
closed
2 years ago
1
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