Page 1 of 1
What is "reduce length" in the stress tensor units?
Posted: Fri Jul 04, 2008 10:29 am
by hortophilus
The stress tensor is calculated and the components given in OUTCAR in kB and also in "eV/reduce length." What is "reduce length?" I have an application where I use the stress tensor to produce forces on the translation vectors, but I can't figure out the units properly.
Thanks in advance,
Tom Grimes-Marchan
What is "reduce length" in the stress tensor units?
Posted: Fri Jul 04, 2008 3:29 pm
by admin
the 'reduced length' means that lengths are not taken in Ã… but in units of the lattice vectors of the cell
[ Edited Fri Jul 04 2008, 05:30PM ]
What is "reduce length" in the stress tensor units?
Posted: Tue Jul 08, 2008 8:59 am
by hortophilus
So, does that mean that off-diagonal elements have a scale of the geometrical mean of the components? That is, will Fxy be on the scale of sqrt(|x||y|)?