Obtaining High symmetrical points in the Corner of FBZ

[AndresOrtegaGuerrero]

I was wondering if there is a possibility to obtain the high-symmetrical points when they are located in an edge of the FBZ, but due to loss of symmetry (during optimization) these ones are not shown in the seekpath, For example,

this system is mP1 symmetry , but it gets loss in the optimization due to the different degrees of freedom of the system, like in this example

yet I would like to obtain the corner points (in my case) that are interesting for the bandstructure ,

Is there a way to get these corner points ?

[giovannipizzi]

You need to refine the structure with spglib, using a large-enough symprec so you get a refined structure that has a higher symmetry. This should do the trick. In general, when I relax cell vectors, I always prefer to do a refinement with spglib to go back to a high-enough symmetry (also helps with later steps in the DFT code) and then do a final SCF on that (and ideally use the standardised cell from seek path and not the original one - e.g. when increasing the symmetries, the cell might get rotated)