[Wien] A new question about the spin texture calculations in WIEN2k

[Artem Tarasov]

Thank you for your clarification.

I have chosen a simple way and made only minor changes in lapwdm.f. 
Now I save only one value of the weigh(1,:) array, which is read from 
case.weightup, and put all other values to zero, and do so for all 
eigenvalues that belongs to the corresponding k-point (it was added as 
additional regime of lapwdm).

However, I have noticed two interesting facts:

1) Putting all except for the one values of the weigh(1,:) array  to 
zero always leads to zero spin projections. Nevertheless, if I change 
these weight zero values to very small ones (0.000001), I get spin 
projections that are not zero and really depend on energy eigenvalues.

2) Running “x lapw2 -so -up” before “x lapwdm -up -so” always leads to 
zero spin projections. However, I think that everything is ok, if I 
use “x lapw2 -so -up -band”. I’m not sure that it is right step. I 
just don’t fully understand a difference between these two options for 
only one k-point.

So, I’m confused again but now I feel that I am very close to 
resolving my long-standing task.
Would you be so kind to help me to figure out these two facts?

Sincerely yours,
Artem Tarasov
Department of Solid State Electronics
SPSU.