ABINIT Discussion Forums

Hello, in the description of the input ionmov =12 (MD for isokinetic ensemble), the related inputs dtion and mdtemp are crossed out along with unrelated friction coefficient: m Is that a misprint, or what does that mean? PS As I've tested, mdtemp doesn't affect kinetic energy, which corresponds to r...

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-directio...

Thanks, sir!

Maybe a noob question, but is there any way to prevent the writing of huge WFK file from RAM drive to hard drive?

Regards.