Abstract
We present an overview of the locally self-consistent multiple scattering (LSMS) method. The method is based on real space multiple scattering theory, is naturally highly parallel, and has been implemented on Intel Paragon parallel platforms within the Center for Computational Sciences at Oak Ridge National Laboratory. O[ N]-scaling is demonstrated for unit cells as large as 1000 atoms. The LSMS method can be extended to treat noncollinear magnetic states of materials. We applied the method to calculating the ground state magnetic structure of Fe 0.65Ni 0.35 alloys. The result indicates the possible existence of noncollinear arrangements of magnetic moments in these alloys.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
