Hi everybody,
I am trying to calculate the interfacial tension of a V and L binary system. My box has dimensions lx = ly << lz and the formula I use is
IT=0.5Lz (-1/2(+)) where Pii is the ii component of the pressure tensor. I use the dump custom to get the pxx pyy and pzz.
The units I use are real so the lz is in Ang and pressure in atm.
My calculations result in numbers of the order of 1000 A*atm (~ 10^-5 mN/m) but the correct ones must be in the order of 1 mN/m. Can you see an obvious mistake in my calculations?
Thanks in advance,
Otto