Codes
g-factor
The g-factor code computes valley g-factors within density functional theory and the GW approximation.
The code can be accessed at:
https://github.com/quek-group/g-factor It will be appreciated if users of
this code could cite the following reference: Fengyuan Xuan and Su Ying Quek,
“Valley Zeeman effect and Landau levels in two-dimensional transition metal dichalcogenides”, Phy. Rev. Research. 2, 033256 (2020) wrrp.x wrrp.x performs six-dimensional (6D)
inverse Fourier transforms on inverse dielectric matrices generated using
BerkeleyGW. The code can be accessed at:
https://github.com/quek-group/wrrp It will be appreciated if users of
this code could cite the following reference: Keian Noori, Nicholas Lin Quan
Cheng, Fengyuan Xuan, and Su Ying Quek,
“Dielectric screening by 2D substrates”, 2D Mater. 6, 035036 (2019) XAF-GW The XAF-GW method enables GW
calculations of large interface systems which can be separated into
individual components without the formation of dangling bonds. However, the
XAF-GW method can apply to layered systems with hybridization between the
components. The code can be accessed at:
https://github.com/quek-group/XAF-GW It will be appreciated if users of
this code could cite the following reference: Fengyuan Xuan, Yifeng Chen, and Su
Ying Quek,
“Quasiparticle Levels at Large Interface Systems from Many-Body Perturbation
Theory: The XAF-GW Method”, J. Chem. Theory Comput. 15, 3824
(2019)