Dear Lukasz,
The difference in computation time between lapw1 and lapwso
calculations is expected in band calculations. The lapwso step
involves the calculation of spin-orbit coupling, which can be
computationally more demanding compared to the lapw1 step that
calculates the bands without spin-
Dear Prof. Laurence Marks,
Thank you for your additional clarification. I understand that you are
specifically interested in separating the dipole moment from the
mean-inner potential component using the WIEN2k software. However, I
must admit that I cannot fully comprehend this concept, as I beli
Dear Prof. Laurence Marks,
Hi,
Thank you for your inquiry. Calculating the surface dipole of a metal
can be an interesting and challenging task. While I cannot provide a
personal account of testing the DIPOLE option in AIM, I can suggest an
approach that might be helpful.
The surface dipole momen
An eigenstate in the relativistic |j, l, s, m_j> basis can be
expanded in terms of the nonrelativistic |l, s, m_l, m_s> using
Clebsh-Gordan coefficients.
For more information see the following notes:
https://sciold.ui.ac.ir/~sjalali/BSc.Students/QM/Chapter_15.pdf
https://sciold.ui
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