介绍了新近发展的基于密度泛函理论的全势能线性缀加平面波((L)APW)+局域轨道(lo)方法,并对R(Fe,Si)12化合物(R=Y,Nd)作了理论计算......

The newly developed full-potential linearized augmented plane wave (LAPW) and local orbitals (lo) based on standard APW ......