design a suppercell containing a dislocation
Posted: Fri Dec 07, 2012 7:33 pm
Hi,
I want to build a supercell containing a dislocation. I have not done this before, so my questions are:
What is the maximum number of atoms I can input in my supercell? Do we need to stop using the periodicity of the cell in VASP? How? Thanks.
I want to build a supercell containing a dislocation. I have not done this before, so my questions are:
What is the maximum number of atoms I can input in my supercell? Do we need to stop using the periodicity of the cell in VASP? How? Thanks.