[QE-users] QE automatically converge centered cell to primitive ?

[Michal Husak]

Hi

We had entered inside QE a structure described by fractional 
coordinates (asymmetric unit cell)
and space group (C 2/c ) ....
 From the output we see QE had itself transformed the structure to 
another space group and unit cell
(probably P 2/c  triclinic system) to get speed  of calculation ....

Question:
- does QE anywhere mention, this transformation was done ?
- does it anywhere give the used transformation matrix ?

We simply need to reconstruct from the QE the atom positions 
corresponding to the original CIF data ....

Michal Husak
UCT Prague