Describe the bug
Cannot get BZ labels while plotting Fermi surface due to
lattice mismatch between structure attributes in FermiSurface class and structure obtained by pymatgen HighSymmKpath
To Reproduce
To reproduce error, please execute the following codes
with MPRester(config["pymatgen"]["PMG_MAPI_KEY"]) as mpr:
structure = mpr.get_structure_by_material_id("mp-30")
hskp = HighSymmKpath(structure, symprec=1e-3)
print(hskp.prim.lattice.matrix) # Mismatched
print(structure.lattice.matrix) # Mismatched
print(hskp.prim) # Matched
print(structure) # Matched
This codes is related to 168 line in ifermi/plot.py
I think the error comes from Seekpath which is used by pymatgen HighSymKpath class
Expected behavior
Same lattice and structure must be obtained from the above codes
Screenshots
I am sorry that I cannot provide any screenshots for company's security reason
Describe the bug
Cannot get BZ labels while plotting Fermi surface due to
lattice mismatch between structure attributes in FermiSurface class and structure obtained by pymatgen HighSymmKpath
To Reproduce
To reproduce error, please execute the following codes
with MPRester(config["pymatgen"]["PMG_MAPI_KEY"]) as mpr:
structure = mpr.get_structure_by_material_id("mp-30")
hskp = HighSymmKpath(structure, symprec=1e-3)
print(hskp.prim.lattice.matrix) # Mismatched
print(structure.lattice.matrix) # Mismatched
print(hskp.prim) # Matched
print(structure) # Matched
This codes is related to 168 line in ifermi/plot.py
I think the error comes from Seekpath which is used by pymatgen HighSymKpath class
Expected behavior
Same lattice and structure must be obtained from the above codes
Screenshots
I am sorry that I cannot provide any screenshots for company's security reason