hi,
I've want to build the twin GB through aimsgb, and read the introduction and you script, But I am not sure how to combine the two to build simple structure. the script are following :
from aimsgb import GrainBoundary, Grain, GBInformation
initial_struct = Grain.from_file("POSCAR_Co2VGa")
axis = [0, 0, 1]
are used in python, it would have some error like def the GrainBoundary, Grain, GBInformation, but I can't find that def in your script. How could I use that in python through your script? where can I change the structure ?
thanks for your reading and looking forward to your reply.
Best Wishes.
hi, I've want to build the twin GB through aimsgb, and read the introduction and you script, But I am not sure how to combine the two to build simple structure. the script are following : from aimsgb import GrainBoundary, Grain, GBInformation initial_struct = Grain.from_file("POSCAR_Co2VGa") axis = [0, 0, 1] are used in python, it would have some error like def the GrainBoundary, Grain, GBInformation, but I can't find that def in your script. How could I use that in python through your script? where can I change the structure ? thanks for your reading and looking forward to your reply. Best Wishes.