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band-unfolding
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banduppy
Python version ofthe BandUP code
GNU General Public License v3.0
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Effective mass calculations
#31
bmondal94
closed
1 week ago
0
AttributeError: module 'banduppy' has no attribute 'UnfoldingPath'.
#30
josueclavijo
opened
1 month ago
2
irrepInstallRequirements
#29
bmondal94
closed
1 month ago
0
Wrong supercell to primitive cell k-path transformation in the final stage
#28
bmondal94
closed
1 month ago
2
Banduppy new updates
#27
bmondal94
closed
2 months ago
0
New functionalities - finding best folding, finding band centers
#26
bmondal94
closed
3 months ago
0
Restructuring code
#25
bmondal94
closed
3 months ago
1
Python wrong flotting point precission
#24
bmondal94
closed
3 months ago
1
Unfolding non-collinear supercell
#23
Amithigh
closed
4 months ago
2
Mirror bands
#22
w-yuxuan
closed
6 months ago
2
Banduppy for non-orthogonal system
#21
SamforD95
opened
1 year ago
1
Compatability with python>=3.10
#20
nicholascheng94
closed
1 year ago
0
Different number of plane waves ncnt vs nplane
#19
dapshenay
closed
1 year ago
5
Consult for the use of the BandUP program
#18
Lamed-git
opened
1 year ago
0
made compatible with WFstorage of irrep
#17
stepan-tsirkin
closed
1 month ago
1
Orbital projection VASP
#16
ctresca
opened
2 years ago
1
unfolding with orbital character
#15
bogo0103
opened
2 years ago
2
unfolding QuantumEspresso spin-orbit coupling bands (NbSe2 supercell)
#14
gmm05126
closed
2 years ago
7
out of memory
#13
gmm05126
opened
2 years ago
2
BandUPpy for VASP
#12
Gargee-123
opened
2 years ago
0
Error running tutorial
#11
rogeriog
closed
2 years ago
9
Tutorial for VASP bandstructure with k-points for hybrid functional
#10
alpinnovianus
opened
2 years ago
1
Spin-orbit couple
#9
Jharknett
opened
2 years ago
1
Arbitrary points
#8
stepan-tsirkin
closed
2 years ago
0
Questions related to the unfolding using bandu
#7
NikaRybin
closed
2 years ago
8
Runing Banduppy occurs an error
#6
gswylq
closed
2 years ago
5
spectral function normalization
#5
NikaRybin
closed
3 years ago
5
question regarding band-resolved unfolding
#4
NikaRybin
closed
3 years ago
3
Should line 64 be aligned to lines 56-62?
#3
alpinnovianus
closed
3 years ago
1
error in running banduppy
#2
mohammedalgeria
closed
3 years ago
6
Update unfolding_path.py
#1
alpinnovianus
closed
3 years ago
1