Hi,
I'm not sure exactly which results are incorrect in your model, but I'd suggest working your way backward from demand to transformation, and checking each sector in turn to see where your model differs from the results you are trying to calibrate against.
For example in my model, coal power generation is 183.5TWh, efficiency is 39%. One can simply guess total coal energy inputs by 183.5TWh/39% = 470.5TWh. When converted to toe, it becomes 40,456 (1000toe). This is the number I expect from LEAP and it is similar to the national statistics 39,539 (1000toe).