Hello Everybody,
I'm wondering from which version of BIOVIA MS/CASTEP Berry phase method has been started to use it?
How to set-up that calculation in addition to existing DFPT capabilities?
I'm working on the ferroelectric system and would be great to get a value of spontaneous polarization to compare with
recently available experimental data.
Many thanks!
Regards,
Artem
I'm wondering from which version of BIOVIA MS/CASTEP Berry phase method has been started to use it?
How to set-up that calculation in addition to existing DFPT capabilities?
I'm working on the ferroelectric system and would be great to get a value of spontaneous polarization to compare with
recently available experimental data.
Many thanks!
Regards,
Artem