Format of WAVECAR for spin-orbit coupling calculations

[jptrinastic]

Hi all,

I'm interested in using the WAVECAR from spin-orbit coupling calculations in some post-processing steps, however I need to know the format of the output.

For a non-polarized calculation, I know the WAVECAR lists coefficients for a given k-point, then for a given planewave. For spin-orbit calculations, there is now the 2x2 spinor involved - could you please let me know how this is stored in WAVECAR? I couldn't find any information in the VASP manual.

Thanks,
Jonathan

[admin]

the loop over the spins is the outermost loop, then there is the loop over the k-points, the innermost loop is the loop over the bands
please keep in mind that WAVECAR only stores the coefficients, but not the corresponding basis function.