AgGaS_2
PHONON
J.Lazewski and K.Parlinski,
Lattice dynamics and elasticity of silver
thiogallate (AgGaS_2)
from ab initio calculations
J.Chem.Phys. 114, 6734 (2001).
Crystal: Chalcopiryte AgGaS_2
Software: Ab initio Castep of MSI and VASP
Space group: tetragonal, I-42d (D_2d^12) (Z=2)
Lattice constants: a=5.598, c=10.387 angst.
Supercell: 2x2x1.
Pseudopotentials: ultrasoft
Phonon dispersion relations of AgGaS_2:
See:
