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Thank you for your attention, The left plot is my current result, and I'm aiming for the right plot instead. When I use other dft tool and plot the band...

Sir, I have another question. K_POINTS {crystal_b} 7 0.000000 0.000000 0.500000 80 !X 0.000000 0.000000 0.000000 80 !G -0.271448 0.271448 0.271448 80 !Sigma 0.000000 0.500000 0.000000 80 !N 0.271448 0.728552...

Hello! I have already tried 'kdirect=False', but it did not help. Manual notice that, for 'kdirect=False', an OUTCAR must be supplied for this case to retrieve the reciprocal lattice vectors...

Thank you for your reply, My MoP structure was relaxed using the vc-relax(full relaxation). When I run projwfc, using the relaxed structure, "Error in routine d_matrix (3):167 D_S (l=3) for...

Dear Logan Lang, Thank you for your attention to this matter. After updated the pyprocar from git, the result seems to be correct compared to other fermisurface result calculated from...

Dear Logan Lang, Thank you so much. I'm gonna try your solutions! Best regards, Subeen

Dear Logan Lang, I have additional questions. I want to try non-colinear spin texture projection with qe code. In the DFT Prep, non-colinear-Spin-Spin calculations take some additional steps as it...

Dear Logan Lang, Did the previous suggestions help?: When I tried an odd numbered mesh, it worked!! For the new branch, If there are any issues, I will make sure...

Dear Logan Lang, For the [email protected]:pietrodelugas/q-e.git, I complied and installed pw and pp. And then, setting the Path to bin directory, dft code well functioned. Using the new branch, above...

Dear Logan Lang, I checked my prefix.xml and then found some issue.  For the QE7.1, there are 'num_of_atomic_wfc' (red box). However, when I used the 'proj_new_rebased branch', there are...