A Standard Solid State Pseudopotentials (SSSP) library optimized for accuracy...

Despite the enormous success and popularity of density functional theory, systematic verification and validation studies are still very limited both in number and scope. Here,...尽管密度泛函理论（density functional theory）已取得巨大成功并得到广泛普及，但其系统性验证与确认研究在数量与覆盖范围上仍极为有限。对此，……