๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Fast full-potential calculations with a converged basis of atom-centered linear muffin-tin orbitals: Structural and dynamic properties of silicon

โœ Scribed by Methfessel, M.; Rodriguez, C. O.; Andersen, O. K.


Book ID
121657203
Publisher
The American Physical Society
Year
1989
Tongue
English
Weight
191 KB
Volume
40
Category
Article
ISSN
1098-0121

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Full-potential linear muffin-tin orbital
โœ I.G. Batirev; K.H. Lee; W.R. Lee; H.M. Lee; J.A. Leiro ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 350 KB

Atomic force calculations and the optimization of atomic structure in the ground state have been made in the cluster version of the full-potential linear muffin-tin orbital method. Relaxation along atomic forces in the ground state enabled us to estimate the main parameters of the atomic structure a