Dear Biovia Community,
I have a well relaxed model (residual forces is 1meV) and I would like to set-up
calculation of vibrational modes interesting only in those are attributed to Gamma-point.
I'm staying with CASTEP.
Cheers,
Artem
I have a well relaxed model (residual forces is 1meV) and I would like to set-up
calculation of vibrational modes interesting only in those are attributed to Gamma-point.
I'm staying with CASTEP.
Cheers,
Artem
