A wide range of subjects have been treated in this contract. We have devoted time to the development and applications of two first principles computational methods: one, the full-potential linear muffin tin orbital (FP- LMTO) method is somewhat mature and highly accurate, while the other, linear combination of atomic orbitals (LCAO), is less accurate but more flexible and is easily incorporated into the other calculations we have in place, e.g., ...
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