Yes, I am using 3d. I basically just took the exact input file that I have been (successfully) using for iron, and changed the lattice line and the potential.
Erin
Please post a simple, small version of your input script that doesn't work.
Steve
Yes, I am using 3d. I basically just took the exact input file that I have been (successfully) using for iron, and changed the lattice line and the potential.
Erin
Please post a simple, small version of your input script that doesn't work.
Steve