[Pw_forum] *.fc file in PW_SCF help.

[Paolo Giannozzi]

Zhen Huang wrote:

> Can anyone help me explain the real space force constant file *.fc. What does 
> each index mean for example (I am doing a 4 by4 by4 calculation): What is the 
> second row 1 1 1 1 means what is saying 1.45522e+00 

never heard about the "search" function of the pw_forum archives?
look for "force constant file" and you will find this:
http://www.democritos.it/pipermail/pw_forum/2005-April/002408.html

 > is this force constant in  ev/A^2?

atomic (Rydberg) units

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy