Calculation of elastic lattice Green's function in supercell
Posted: Wed May 20, 2015 6:17 pm
Dear Abiniters,
I want to get elastic static lattice tensorial Green's function in a large supercell (~1000 atoms, Gamma point only) to tie it with the continual limit in elasticity theory, so all I need is to get atoms displacements caused by unit point force separately acting in x-, y-, z-directions (produced by corresponding dispacement of one fixed atom).
I'm not familiar with response calculations, so I want to understand is there any sense to obtain such results using implemented response capabilities for statics?
Regards.
Reference:
V.K.Tewary, Green-function method for lattice statics, 1973
I want to get elastic static lattice tensorial Green's function in a large supercell (~1000 atoms, Gamma point only) to tie it with the continual limit in elasticity theory, so all I need is to get atoms displacements caused by unit point force separately acting in x-, y-, z-directions (produced by corresponding dispacement of one fixed atom).
I'm not familiar with response calculations, so I want to understand is there any sense to obtain such results using implemented response capabilities for statics?
Regards.
Reference:
V.K.Tewary, Green-function method for lattice statics, 1973