Good question! There's a not-too-obvious answer but it's easy to calculate:
Let's call the row axis "r" and the column axis "c", and consider the first picture, where the extent along the r axis is 5 and the extent along the c axis is 3.
The unit increment along the r axis, relative to the drawing plane, is at angle +30 = (cos 30°, sin 30°) = (sqrt(3)/2, 0.5), and the unit increment along the c axis is at -30 = (cos 30°, -sin 30°) = (sqrt(3)/2, -0.5).
You need to consider the two diagonals of your isometric rectangle. In the first picture, those diagonals are D1 = [+5*U along the r axis and +3*U along the c axis] and D2 = [+5*U along the r axis and -3*U along the c axis], where U is the tile length in the isometric plane. When transformed into the drawing plane, this becomes D1 = ((5+3)*sqrt(3)/2*U, (5-3)/2*U) = (4*sqrt(3)*U, 1*U) and D2 = ((5-3)*sqrt(3)/2*U, (5+3)/2*U) = (sqrt(3)*U, 4*U). The screen width and height, therefore, are the maximum of the two extents = 4*sqrt(3)*U, 4*U.
This can be generalized: if there are Nr rows and Nc columns, and the tile length is U, the extent of the diagonals of the rectangle in the drawing plane are D1 = ((Nr+Nc)*sqrt(3)/2*U, (Nr-Nc)/2*U) and D2 = ((Nr-Nc)*sqrt(3)/2*U, (Nr+Nc)/2*U), and the screen width and height, therefore, are:
W = U*(Nr+Nc)*sqrt(3)/2
H = U*(Nr+Nc)/2