Table 3.

Elucidated elastic constants and Kleinman parameter ($Ϛ)$ for CuHgSBr using GGA-PBE functional.

XC	${\mathit{C}}_{\mathbf{11}}$	${\mathit{C}}_{\mathbf{22}}$	${\mathit{C}}_{\mathbf{33}}$	${\mathit{C}}_{\mathbf{44}}$	${\mathit{C}}_{\mathbf{55}}$	${\mathit{C}}_{\mathbf{66}}$	${\mathit{C}}_{\mathbf{12}}$	${\mathit{C}}_{\mathbf{13}}$	${\mathit{C}}_{\mathbf{23}}$	$\mathit{Ϛ}$
GGA-PBE	104.80	102.50	138.66	3.34	4.06	32.93	33.40	44.06	20.82	1.15