[Pw_forum] *.fc file in PW_SCF help.

[Mikiyas Tsegaye]

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