Dear all,
I'm a new user of Materials Studio (MS) and need an automated script for the CASTEP module to calculate cutoff energy and k-points for a convergence test. Could anyone help me with this? Thank you.
Dear all,
I'm a new user of Materials Studio (MS) and need an automated script for the CASTEP module to calculate cutoff energy and k-points for a convergence test. Could anyone help me with this? Thank you.