I would like to test effect of dopant by replacing specific species in the Structure by a list of atom.
I was able to put the list of dopants in for-loop but when I tried to write the structure to POSCAR, it kept giving me error " ‘NoneType’ object is not iterable" but when I place
print (struct_test)' inside the loop, I was able to see the list of atom with a dopant. Here is an example of my code sub_atom = [‘Al’,‘Si’,‘Ti’,‘Mo’,‘Fe’]
Does anyone have idea how to fix it?
Thank you for your time!