IN PLD/DRK tank combo. The MT from optimization point of view depend on the boss damage type.
For mostly physical boss PLD get as much parry as a DRK, with additional block that reduce dmg as much as parry + sheltron each 30 sec. This is will create a lesser healing need from the healer giving more up time in cleric stance over a DRK. Since you got a physical boss you will want to have rage of halone debuff on the mob at all time, resulting in the PLD doing a high treat rotation. In the case of both tank are in dps stance with a DRK MT, this will force the DRK to also switch to a high treat rotation resulting in overall dps loss. it hurt less in potency loss for a PLD to do a high treat rotation over a DPS high rotation than it is for DRK to do the same. With taking into account the shield swipe high treat proc, PLD will be able to slide a high dps rotation every 3-4 rotation without fearing of losing aggro to the OT unlike a DRK.
For mostly Magical boss, parry become less efficient and blocking nearly useless. Rage of halone deduff is also mostly useless. In that situation PLD can do a high dps rotation at all time. DRK also have extra defensive CD vs magical dmg. In a situation where both tank are in dps stance, DRK won't have to fear that the PLD will deal more aggro and will be free to open up more on dps.
Since PLD rotation is easier than other tank job, this allow for more raid awarness. Although Clemency and stoneskin can be maximized as OT, these ability can easily be fitted between boss attack to mitigate more dmg (including magical dmg) and as extra safety during tank buster even as MT. Doing nothing with you mana as a PLD seem a waist of resource IMO.
So in essence the OPTIMAL should be
Physical type boss (MT/OT)
PLD / WAR
PLD / DRK
Magical type boss (MT/OT)
DRK / WAR
DRK / PLD
In case of double the same class, the one with the highest ilvl should be OT as long as the one with lower ilvl can keep aggro and survive tank buster as MT
With one tank in tanking stance and the other in dps stance. It don't even matter, since all tank can clear content as either MT or OT. And it's not because it's not optimal that it won't be impossible/fun to do it.
Thinking outside the box is the best IMO