What is "reduce length" in the stress tensor units?

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hortophilus · #1 Post by **hortophilus** » Fri Jul 04, 2008 10:29 am

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

#2 Post by **admin** » Fri Jul 04, 2008 3:29 pm

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 ]

hortophilus · #3 Post by **hortophilus** » Tue Jul 08, 2008 8:59 am

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|)?