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The program isn't really designed specifically for subwoofers, it's for speakers in general. If you asked for the optimum box dimensions, it's given you what's known as "the golden ratio" for internal dimensions, which are 1.6 x 1.0 x 0.6.
Note that it gives these as H(1.6) x W(1.0) x D(0.6), but it really doesn't matter - most manufacturers use H(1.6) x D(1.0) x W(0.6) anyway to cut baffle (front panel - ie where you actually mount the driver) diffraction by making the speaker narrower - that's if they bother with this ratio at all, that is - it's not a hard and fast rule, just a guide, a sort of starting point!
You can use any shape you want really, but it's probably best to avoid a cube (remember it's only the internal dimensions which count as far as this is concerned), any box with two of the 3 dimensions the same, and any where one of the dimensions is an exact multiple of another. Various other things can be done as well, such as non parallel internal walls and curved walls etc - the theory is all around reducing internal reflected waves!
Also, if it's a sealed alignment, don't worry too much about the exact volume - try altering it a few litres either way and see how little it affects the response.
Also, don't forget the volume of the actual driver and amp, plus any internal bracing (which take up space inside the box). And lastly, don't overlook the effect of stuffing the box with acoustic wadding - it can add a sizable amount to the "effective" volume of the box - 20% is not untypical (make sure you keep the stuffing away from the driver though, so it can't interfere mechanically with the cone's motion - a particular problem to think about with sealed downfiring subs).
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