[Wien] force theorem

[Jihoon Park]

Dear users,


The processes to use the 'force theorem' are

(i) converge calculation without s-o
(ii) using converged non s-o calculation run lapwso, lapw2up/dn for
   M along symmetry directions. Anisotropy is then given by differences
  of [:SUMup + :SUMdn] for M along say [001] and [100].


I want to make sure if my understanding is correct.
My understanding is (1) do spin polarization calculation first, (2) do
LS-coupling calculation with specific spin directions. (3) take the sum of
eigenvalues and compare them.

Then the difference of the sum of eigenvalues are in Ryd units?
And I used k-points of 10,000 for this test run. I want to make sure how
many k-points "usuallly" needed for tetragonal two atoms structures.

Thank you in advance.


All my best,
Jihoon Park
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