Thank you Giovanni for such a wonderful explanation. It helps a lot
especially when someone is not very familiar with this field. I will go
through the documentation for more information regarding band structure.
Rameswar
On Wed, Dec 28, 2022 at 5:12 AM Giovanni Cantele <
Dear Parveen Rawal
It depends on the system, whose physics you only know. It seems
possible that a triplet ground state evolves in a different singlet
ground state through the minimum energy path represented by the two
low-energy branches of the two paths (the triplet one on the left of
Hi,
it is always a good practice to look at the documentation first.
Here, you can find some answers to your questions:
https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm1487
nks: Number of supplied special k-points.
So, you decide how many points you want in your path (e.g., 50) and fix
