values of wavefunctions on grid
Posted: Sun Sep 02, 2012 12:24 am
Hi All,
Does anyone know if you can print the values of the wavefunctions on a grid? I've been able to extract the coefficients of the PWs for each wavefunction, but without the PWs, this isn't much use. I guess I could also just plot out the plane waves (to a grid) and then use the coefficients to get a value for each point across a grid, but I can't get the plane waves out of the code.
Thanks,
Chris
Does anyone know if you can print the values of the wavefunctions on a grid? I've been able to extract the coefficients of the PWs for each wavefunction, but without the PWs, this isn't much use. I guess I could also just plot out the plane waves (to a grid) and then use the coefficients to get a value for each point across a grid, but I can't get the plane waves out of the code.
Thanks,
Chris