Hello,
I am trying to create a diamond lattice using lattice command. I want to use (1 1 1) for z orientation. Can anyone help me what I should use for other two orientations, I mean for x and y orientations?
Thanks,
Farshad
Hello,
I am trying to create a diamond lattice using lattice command. I want to use (1 1 1) for z orientation. Can anyone help me what I should use for other two orientations, I mean for x and y orientations?
Thanks,
Farshad
Apply some basic crystallography knowledge while following the
right-hand rule and consulting the lattice command doc page (paying
special attention to orient keyword), you should be able to figure
this out.
Ray
I found it using dot products. Thanks for your notes anyway.
I tried to run the following input file to create the diamond slab using airebo forcefield. I get the following error. Could anyone help me what can be the reason for this error?
Created 1000 atoms
ERROR: Incorrect args for pair coefficients (pair_airebo.cpp:157)
Thanks,
Farshad
Please wipe your glasses, read the error message, look it up in the documentation, use some common sense and correct your pair_coeff statement.
Axel.