LSMS

Software · Fri Dec 01 00:00:00 EST 2017

OSTI ID:1420087

Eisenbach, Markus ^[1]; Li, Ying Wai ^[1]; Liu, Xianglin ^[1]; Odbadrakh, OD K ^[1]; Pei, Zongrui ^[1]; Stocks, George M ^[1]; Yin, Junqi ^[1]

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1. ORNL

LSMS is a first principles, Density Functional theory based, electronic structure code targeted mainly at materials applications. LSMS calculates the local spin density approximation to the diagonal part of the electron Green's function. The electron/spin density and energy are easily determined once the Green's function is known. Linear scaling with system size is achieved in the LSMS by using several unique properties of the real space multiple scattering approach to the Green's function.

• Short Name / Acronym: LSMS; 005587WKSTN00
• Version: 00
• Programming Language(s): Medium: X; OS: LINUX
• Research Organization: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-00OR22725
• OSTI ID: 1420087
• Country of Origin: United States