[Wien] state normalization problem violates correct spin expectation value :: modified w2w code

[Martin Gmitra]

Dear Fabien,

For LMAX2 = 5 the  <n, K | n, K> = 0.999990071859
and spin expectation values: (<sx>, <sy>, <sz>) = ( 0.000201262389,
0.000201320906, 0.999325897440)

For LMAX2 = 12 the <n, K | n, K> = 0.999999992267
and spin expectation values: (<sx>, <sy>, <sz>) = ( 0.000201259308,
0.000201317825, 0.999335807763 )

Increasing the LMAX2 improves the norm but the spin stays almost
unchanged even though symmetry
for the system dictates (<sx>, <sy>, <sz>) = ( 0.0, 0.0, 1.0)

One could argue that the values are rather fine but they are
(theoretically) not from the point of view of
Elliott-Yafet spin relaxation mechanism (which is proportional to 1 - <sz>).

Another observation is that heavier the element (in the structure) the
larger discrepancy from <sz> = 1 is observed.

Best,
Martin Gmitra