ABINIT Discussion Forums

Hello,

is it possible to restart an scf calculation with a different set of kpoints but using the wavefunction data from the previous calculation?

Thanks!

Dear ryne60,
Restarting the WF will not be possible if the k-points are not the same, you can however starts from the density instead, which is in the real space and can be Fourier transformed into WF in reciprocal k-space.
Best wishes,
Eric

Thanks Eric!