HP - A code for the calculation of Hubbard parameters using density-functiona...
收藏B2FIND2026-04-11 收录
官方服务:
资源简介:
We introduce HP, an implementation of density-functional perturbation theory, designed to compute Hubbard parameters (on-site U and inter-site V) in the framework of DFT+U and...
我们提出了HP——一种密度泛函微扰理论(density-functional perturbation theory)的实现程序,旨在于DFT+U框架下计算哈伯德参数(Hubbard parameters,包含在位U(on-site U)与位间V(inter-site V))以及……



