Well firstly the Haka wasn't invented "for" them, rather it was invented by them.
As for it's actual purpose, it was originally created as a ritual to drive away evil spirits from an area as it was believed that these spirits had the potential to bring great misfortune to people.
However, these days, through the loss of most traditional Maori (indigenous people of NZ) culture the Haka has mainly just turned into a form of attempted intimidation against sporting opponents.
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It is said that circa 1820 a chief by the name of Te Rauparaha composed Ka Mate, the most well known of all haka. At that time Te Rauparaha was chief of the Ngati Toarangatira (Ngati-Toa) a branch of the Tainui tribe, and dwelt in Kawhia, north of the Waikato.
There are several styles of haka. Ka Mate was originally of the ngeri style, a short free-form haka where the performers interpret as they feel fit. It is also performed without weapons, and is not therefore a war-dance as is commonly supposed. The peruperu is a style of haka for a war-dance. It involves weapons and is characterised by a high jump with legs folded underneath at the end. Observers of the All Blacks circa 1980's through 1990's will have noted that they often used to perform this same jump, which was a point of irritation amongst haka purists. However since the new millennium they have sorted this out. In fact the All Black rendition of Ka Mate has inevitably undergone quite a few changes along the way to make it more impressive or appropriate to the game of Rugby or those doing it at the time.
The team performed a haka before the start of their first match on 3 October 1888 against Surrey, England.