BlessedAkarat

Actually, the lab I belong isn't that big and it's a relatively new lab (just opened 2 years ago). So there are very few students working on the same topic...

I talked to my advisor again, and we concluded that using the Fermi level of SCF is indeed the right approach. Lastly, I’m still pretty clueless about the ```normalize_dos_mode``` part....

I really thought I had seen your comment and replied about it three weeks ago, but I guess I didn’t hit the comment button after rewriting the post. I apologize...

Hello @lllangWV , First of all, I apologize for the delay in responding to your question. The delay occurred because I prioritized other research over the study in this specific...

Additionally, another question. As I mentioned earlier. > So, in the end, this system is using the k-points and band values from the scf.out file to create a graph, and...

> So my code returns the kpoint index for which a band crossing has just occurred along the path. I did not return the band index. For that I create...

After retesting the system, it seems unrelated to IBRAV. Even though IBRAV = 4, the system recognizes Ru slab as a Trigonal (P-3m1) structure, not HCP (P6_3/mmc) structure. Of course,...

Hello Mr. Logan. > is this bulk Ru? Performing calculations with a primitive cell refers to bulk Ru. The reason symmetry appears broken in the slab is probably because the...

Excuse me Logan, I don't mean to rush you, but my paper submission deadline is approaching, so I'm trying to find a workaround. Can I extend the range of the...

Wow Mr. Logan. I truly appreciate your dedication. I can't even imagine how much effort you put into performing such complex tasks and kindly showing examples. First, regarding the modified...