Thank you for the comments.
This is option 4 of orb package "Interaction with the external magnetic field"
mentioned in page 127 of UG around (7.2). So, U=0.
After your mail I realized that both "case.energysodn" AND "case.energysoup"
contain the information I was looking for (splitting of
Dear wien2k community,
I am trying to estimate the g-factors in bulk semiconducting material. From the
mail list and user guide I learned that orb may be used for this purpose (as
discussed in beginning of this thread [1] and in section 7.4 of UG).
Using the GaAs as a reference semiconductor I
Ups. Sorry. I was not sure what you really calculated.
If you do plain GaAs (I somehow thought about magnetic impurities in
GaAs), the starting with runsp_c_lapw is perfectly fine.
On 9/29/20 1:13 PM, Mikhail Nestoklon wrote:
Thank you for the comments.
This is option 4 of orb package
You miss the physics of spin-orbit interaction.
Spin-orbit MIXES spin-up and dn (spin is no longer a good quantumnumber).
This means that each eigenvalue will contain contributions of spin-up
AND spin-dn. In many cases one spin will dominate, but they can also be
completely mixed.
Of
4 matches
Mail list logo
