Error 'param_get_projections: spin is defined but spinors=.false.' for f-orbitals

[SelimLin]

Dear Developers,
I am using wannier90-3.1.0 and I found the software complaining 'param_get_projections: spin is defined but spinors=.false.' when I prepared the input files for a spin-polarized DFT calculation involving projection onto f-orbitals.
This issue seems to arise becasue the subroutine param_get_projection detects spin direction for projection by scaning brackets ‘(’ and ')' , but there are brackets in the conventional name for f-orbital, i.e. 'fz(x2-y2)', 'fx(x2-3y2)', 'fy(3x2-y2)'. In my case, the program found '(' in f-orbitals and judged that I was using the functionality of spin projection for spinor calculation and report the mentioned error message.
If this is the case, the software will also complain 'param_get_projections: found brackets but neither u or d' for spinor calculation with projection onto f-orbitals.

[214786214]

Dear Selim,
Could you please just try with normal projections like?
Begin_Projections
X: d; f
Y:s; p
End_Projections

It might solve your problem.

Best wishes

[jryates]

This is a conflict in the way we defined the projectors. After discussion the plan is to try to change the code to work around this (e.g. to pattern match for the orbital definitions before looking for spin). This will avoid changing the specification.