Valerio Vitale
Valerio Vitale
At the moment there are two places in the code where `translate_home_cell` is used: 1) when writing the cartesian coordinates of the WF's centres and 2) when writing VdW data...
We need some more testing to make sure that the centres and the Hamiltonian matrix elements computed by applying a phase to the columns of the U matrix agree with...
Yes that's a typo. Thank you for spotting it.
Hi @brunocucco, Fom the output file you sent, it seems that in the last iteration you do get ``` Final State WF centre and spread 1 ( 0.001715, 0.001715, 0.000141...