论文标题
MAGNETICKP：用于快速构造$ \ boldsymbol {k} \ cdot \ boldsymbol {p} $磁性和非磁性晶体模型的软件包
MagneticKP: A package for quickly constructing $\boldsymbol{k}\cdot\boldsymbol{p}$ models of magnetic and non-magnetic crystals
论文作者
论文摘要
我们提出了一种有效的算法来构建$ \ boldsymbol {k} \ cdot \ boldsymbol {p} $有效的哈密顿量，这比以前提出的算法要快得多。该算法在Magnetickp软件包中实现。该软件包适用于单值（无旋转）和双值（拼写）案例，并且适用于磁性和非磁系统。通过与SpaceGroupireP或MSGCorep软件包进行接口，它可以直接输出$ \ boldsymbol {k} \ cdot \ boldsymbol {p} $ hamiltonian围绕任意动量，并在$ k $中扩展到任意订单。
We propose an efficient algorithm to construct $\boldsymbol{k}\cdot \boldsymbol{p}$ effective Hamiltonians, which is much faster than the previously proposed algorithms. This algorithm is implemented in MagneticKP package. The package applies to both single-valued (spinless) and double-valued (spinful) cases, and it works for both magnetic and nonmagnetic systems. By interfacing with SpaceGroupIrep or MSGCorep packages, it can directly output the $\boldsymbol{k}\cdot \boldsymbol{p}$ Hamiltonian around arbitrary momentum and expanded to arbitrary order in $k$.
