A full-potential linear muffin-tin (FP-LMTO) implementation
within the local denisty approximation (LDA) has been used to
solve the electronic structure for some 60,000 compounds.
The experimental crystal structures used have been obtained
from the inorganic crystal structure database (ICSD).
Form more information on the electronic structure code see
The Electronic Structure Project (ESP) is described in:
"Data mining and accelerated electronic structure theory as a tool in the search for new functional materials",
C. Ortiz, O. Eriksson, and M. Klintenberg.
Comput. Matr. Sci. 44 (2009) 1042-1049.