ESP - first release in 2002!
The Electronic Structure Project - Identifying New/Novel Functional Materials
The electronic structure project (ESP) is a collection
of some 60,000 electronic structure calculations. A
full-potential linear muffin-tin orbital (FP-LMTO)
implementation of density functional theory (DFT) within
the local density approximation (LDA) was used to solve
the electronic structures.
Our goal is to identify new/novel functional materials.