Dear Professor Isaev, I was hoping you could help me with the Force Constants file in Quantum espresso. I have read your description of this *.fc output on the forum, and it's very clear. However, my question is this: if R is given as, R = a*m1+b*m2+c*m3, then the nearest neighbors would be at R(1,1,1), which is the next unit cell. But what about the interaction terms for the atoms within the same unit cell?
- Mikiyas Tsegaye ECE dept, UVA charlottesville, VA, USA
