Dear members:
good evening/morning.
I wish to ask: when CP2K is instructed to compute electronic transitions
for a super-cell under periodic boundary conditions
State Excitation Transition dipole (a.u.) Oscillator
number energy (eV) x y z strength (a.u.)
------------------------------------------------------------------------
TDDFPT| 5 1.89410 -3.3184E-05 -5.1117E-05 -6.2101E-05 3.51316E-10
...
should one considers
{0,0,0}
to be the default origin
for the printed x, y and z components of each vector?
Thank you.
Victor