This branches implements a function to compute the gradient of the free energy directly in Fourier space, with a julia module that should make the code much faster.
The scaling also is much better with the supercell size and could probably make the SSCHA code go to system of 1000 atoms and above.
This branches implements a function to compute the gradient of the free energy directly in Fourier space, with a julia module that should make the code much faster. The scaling also is much better with the supercell size and could probably make the SSCHA code go to system of 1000 atoms and above.