NCXC is a noncollinear functional ensemble in the framework of KS-DFT. NCXC can be devided into two parts which are NCLibXC and NCSelfXC. NCLibXC is using Libxc to provide collinear functional for our ensemble. NCLibxc returns exchange and correlation energy density per electron and 2*2 exchange and correlation energy potential matrix. If you multiply the potential matrix by basis and do integration, you will acquire the xc part of Hamiltonian. NCSelfXC is tailored for developers where they can develop noncollinear functional based on their collinear ones.
NCXC 1.0 is launched and programmed by Xiaoyu Zhang. Peking University, China. 2024/09/05
NCXC 1.1 is launched and programmed by Xiaoyu Zhang. Peking University, China. 2024/09/07
NCXC 1.2 is launched and programmed by Xiaoyu Zhang. Peking University, China. 2024/10/05
NCXC 1.3 is launched and programmed by Xiaoyu Zhang, Peking University, China 2021/11/13
Ref:PHYSICAL REVIEW RESEARCH 5, 013036 (2023); J Kubler et al 1988 J. Phys. F: Met. Phys. 18 469