Note: Fragmentation does not accelerate the QEq calculation.

After running calculateerror.py, we found QEq fragmentation is accurate.

However, we found fragmentation does not accelerate the QEq calculation. This may be because the time complexity of QEQ is O(N) since QEq uses a CG algorithm, so the fragmentation cannot accelerating its calculation.

Author: Jinzhe Zeng

Email: [email protected]