Thank you very much, Peter, for pointing the way!
case.normsoup/dn is exactly what we need. I just looked up the norms for
the valence band edge of GaAs (x4 degenerate states at Gamma). Here they
are from case.normsoup
0.907085541766E+00 0.433544748129E+00 0.499707182587E+00
0.159662527518E+00
and case.normsodn
0.929144582341E-01 0.566455251871E+00 0.500292817413E+00
0.840337472482E+00
Pairs add up to 1 as expected for a norm. Each spin channel adds up to 2
indicating no dominant up/dn component (something I would expect for
GaAs). But individual norms can be very different from 0.5, which needs
an action.
Eventually one could simply add the spectral weights, but probably one
should weight them by the spin-up/dn norms in the case.normsoup/dn
files. In that way one would get a proper representation (and eg. a
small spectral weight in spin-dn does not matter if also its norm is
small, i.e. if this eigenvalue is mainly spin-up.
This can certainly be done, but it would be convenient if fold2Bloch can
do it "under the hood". Files case.vectorsoup, case.vectorsodn,
case.normsoup can be read simultaneously producing a single output file.
Best regards
Oleg
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