BlessedAkarat

Glade to your help Logan. I'll gonna try your advices and check out errors. Again, thanks for your guidance. GH

Hi. I'm coming back with a bad news that I failed all my attempts. At first, I don't have any idea of changing the lattice vectors into the Bohr radius...

 - Directory name "Fermi_Plottable" = symmetry ON - Directory name "Ru_nosym" = symmetry OFF Well, I check out my Fermi levels both the first...

[Input_Fermisurface.zip](https://github.com/romerogroup/pyprocar/files/14954820/Input_Fermisurface.zip) My inputs are here. And I also show my bash execution order file and Fermi surface plot file from below. I use 'qsub' to active my scheduler (as I...

Hello. I know you are very busy on other things :) But I'm still stuck in the same error... Can you give me some guidance after check my files please?...

Dear Ahromero and Logan. Thanks for both your help, and sorry about my late answer. Because of my lack of understanding, I have to take some time before I ask...

Yes, you are right. If the Fermi level option works, the DOS plot should shift accordingly. But as I show above, there is nothing different after Fermi changed. I'm really...

fermi=20.3074  fermi=1.2854  Yeah, it works perfectly. However, let me ask something more. In my output folder, my final output .xml is overwritten non-self consistent (nscf) or bands calculation...

Dear Logan, You work really hard. I'm very appreciate every work you did. However, I don't mean to bother you , I have few more questions... First, what about using...

Dear Ahromero. > I think you have to answer these questions by reviewing what is DFT and how it is done…. There is a difference between what you do in...