What is the "reduce length"?

Message

xfh · #1 Post by **xfh** » Sun Dec 17, 2006 12:48 pm

Hello everyone:
In OUTCAR:
FORCE on cell =-STRESS in cart. coord. units (eV/reduce length):
Direction X Y Z XY YZ ZX
--------------------------------------------------------------------------------------
Alpha Z 3.48 3.48 3.48
Ewald 1293.37 1293.37 -1567.58 0.00 0.00 0.00
Hartree 1283.45 1283.45 -1255.67 0.00 0.00 0.00
E(xc) -30.57 -30.57 -30.57 0.00 0.00 0.00
Local -2666.49 -2666.49 2718.03 0.00 0.00 0.00
n-local -13.04 -13.04 -13.00 -0.43 0.00 0.00
augment 2.00 2.00 2.21 0.00 0.00 0.00
Kinetic 127.78 127.78 143.06 0.70 0.00 0.00
-------------------------------------------------------------------------------------
Total -0.03 -0.02 -0.04 0.00 0.00 0.00
in kB -0.45 -0.41 -0.68 0.00 0.00 0.00
external pressure = -0.51 kB Pullay stress = 0.00 kB

What is the "reduce length"? And what is the unit of "Total -0.03 -0.02 -0.04 0.00 0.00 0.00"?
Thank!

#2 Post by **admin** » Wed Dec 27, 2006 2:21 pm

the units are eV/Ã… unless denoted otherwise, reduced length means the the lengths are divided by the lattice constants.

xfh · #3 Post by **xfh** » Sun Jan 14, 2007 1:47 am

Thanks!
What is the relation of the "Total" and the "in kB" line?

#4 Post by **admin** » Tue Jan 16, 2007 1:17 pm

the units: eV/Ã…3 vs. kB