# HSE06+SOC calculation in VASP: How to remove false k-points? [closed]

I followed the steps mentioned in the answer of question: How to carry out HSE06+SOC band structure calculation using VASP but I found a zigzag band structure. Any idea how to remove false k-points in VASP files directly, because I need projected band structure to plot?

• Is this perhaps just a matter of not plotting the uniform grid part of the file (which would give you a zigzag) and only plotting the k-points with zero weight that correspond to the actual path of interest? It would be helpful if you provide some additional information such as the KPOINTS file and the plot you are getting. Aug 21 '21 at 9:25
• @ProfM here I am attaching band picture and KPOINTS file. Please have a look drive.google.com/drive/folders/… Aug 23 '21 at 13:22
• @RameshKumar Could you please paste the KPOINTS file into a code block in the question? I was not able to read it from your Google Drive folder. I've already pasted the other file from your Google Drive folder into the question. I would always recommend trying to put as much information directly into the question rather than in other external places like Google Drive. Aug 24 '21 at 2:20
• @RameshKumar you can upload your input/output files to Google drive or GitHub and provide a link to it so it can be easy for us to analyse your data. Aug 24 '21 at 9:18
• Just to re-iterate what others have said, this looks like you've done a density-of-states calculation and then also plotted the eigenstates on that k-point mesh. Since the mesh does not form a 1D path through the Brillouin zone and is arbitrarily ordered, you get these seemingly-discontinuous jump. Try calculating with a few k-points along some high-symmetry lines and plotting those instead. Oct 9 '21 at 22:32