GPU Acceleration of the Locally Selfconsistent Multiple Scattering Code for First Principles Calcula

• 作 者: Markus Eisenbach Jeff Larkin J
• 机 构: OakRidgeNationalLaboratory,NVIDIACorporation
• 出 处: 国际计算机前沿大会会议论文集
• 发表日期: 2015年B12期
• 关键词: The LOCALLY SELF-CONSISTENT MULTIPLE Scattering(LSMS)

The Locally Self-consistent Multiple Scattering(LSMS)code solves the first principles Density Functional theory Kohn-Sham equation for a wide range of materials with a special focus on metals,alloys and metallic nano-structures.It has traditionally exhibi