issues
search
romerogroup
/
pyprocar
A Python library for electronic structure pre/post-processing
GNU General Public License v3.0
165
stars
72
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
no picture output
#101
zc994646659
opened
1 year ago
0
Updated docs and bug fix with fermi zeroing
#100
lllangWV
closed
1 year ago
0
Making sure main and dev are up to the same commit
#99
lllangWV
closed
1 year ago
0
added elk.py and code-workspace to gitignore
#98
petavazohi
closed
1 year ago
0
Dev
#97
petavazohi
closed
1 year ago
0
pyprocar.bandsplot is not working
#96
Davidmp26
opened
1 year ago
1
Re: Issue #94
#95
wladerer
opened
1 year ago
5
Deprecated Numpy Type (np.float) + POSCAR parsing issue
#94
wladerer
closed
7 months ago
0
Bandsdosplot error
#93
Juo-kim
opened
1 year ago
6
DOS error when including spin-orbit coupling
#92
PyFiSciFi
opened
1 year ago
0
k-point grid is not automatically spaced properly
#91
PyFiSciFi
closed
1 year ago
3
pyprocar not found
#90
kcbhamu
opened
1 year ago
2
problem with plot
#89
Moon121212
opened
1 year ago
3
How to filter KPOINTS from hybrid calculation?
#88
nirjha008
opened
1 year ago
0
In ability to use stack_orbitals mode for F orbitals
#87
iowachem
opened
1 year ago
1
DOS plot error for unfinished DFT calculation
#86
artoland
closed
1 year ago
1
vertical axis or graph height is not adjusted when plot_total = False in dosplots: projected DOS becomes too small to see
#85
alpinnovianus
opened
1 year ago
5
How to not show legends in dosplots?
#84
alpinnovianus
opened
1 year ago
0
Different result between DOS plots on 'parametric_line' vs 'stack' modes?
#83
alpinnovianus
opened
1 year ago
2
Bands sift in PyProcar and quantum espresso
#82
abdelghany0
opened
1 year ago
7
2D-spin mesh plot,could not convert string to float happen
#81
ChenqiangHua
closed
1 year ago
2
Release schedule?
#80
sthartman
opened
1 year ago
1
spin textures
#79
Moon121212
opened
1 year ago
0
problem in plotting spin texture
#78
Moon121212
opened
1 year ago
0
DOS qe plot failed
#77
IsmaelDiouFY
closed
1 year ago
25
Add bz2 file support
#76
arafune
opened
2 years ago
0
How to Make 2D k-mesh centred around Gamma point
#75
Simba2805
opened
2 years ago
0
Generate KPOINTS file in Cartesian Coordinates
#74
Simba2805
opened
2 years ago
3
Spin-textures with rotary Arrows distributed in full graph sheet
#73
Simba2805
opened
2 years ago
0
fermi2d have problem after rotation
#72
chouyoudou
opened
2 years ago
1
the dos and band Combination diagram
#71
zc994646659
opened
2 years ago
0
About the equation used by non-collinear electronic structure calculation.
#70
hongyi-zhao
opened
2 years ago
5
Plot band and dos by QE
#69
Clifford-17b
opened
2 years ago
0
Insulator DOS plots: shifting the Fermi level and Zero Energy
#68
alpinnovianus
opened
2 years ago
7
Not able to plot band structure for MoS2 with SOC
#67
ashiquelal
opened
2 years ago
2
Band Structure Inconsistent Energy level
#66
Gargee-123
opened
2 years ago
4
Inconsistent output for spin textures in two different modes for same files.
#65
Sayan611
opened
2 years ago
0
How to use Times New Roman Font?
#64
kcbhamu
opened
2 years ago
0
Problem in plotting the band structure (QE)
#63
ntoufik32
opened
2 years ago
4
Error in band unfolding with non integer supercell matrix elements
#62
Gargee-123
opened
2 years ago
0
Fermi Surface plot of Supercell
#61
Gargee-123
opened
2 years ago
2
Fermi surface not aligned with Brillouin zone, and not centered at Gamma point?
#60
alpinnovianus
opened
2 years ago
5
Issues with newest PyVista
#59
aglinn
opened
2 years ago
0
Please do not change my plotting parameters
#58
aglinn
opened
2 years ago
0
bands+dos different orbitals of the same species
#57
MIraola
opened
2 years ago
0
match "Reciprocal" in KPOINTS
#56
ybw2016v
closed
2 years ago
0
AttributeError: module 'pyprocar' has no attribute 'bandgap'
#55
l-r217
opened
2 years ago
3
DOS Plots for Spin-orbit Calculations
#54
shahid-sattar
opened
2 years ago
0
Atomic projection in band unfolding calculation
#53
Gargee-123
opened
2 years ago
0
Unclosed files
#52
bfield1
opened
2 years ago
0
Previous
Next