If it helps, I have summarized the steps (see below).
Assuming the user already did in w2web:
initialize calc.
run SCF
Bandstructure (Optional: Do if you want to later compare non-SO and SO
bandstructure)
Switch to a terminal, while in the case directory, backup this completed
non-spin polarized calculation with
1) save_lapw -d withoutSO
Note: This can also be done in w2web.
Initialize SO calculation in terminal with:
2) initso_lapw
- Do you have a spinpolarized case (and want to run symmetso) ? N
Note: initso_lapw of w2web is currently not as beginner friendly as it
is in a terminal
Switch back to w2web and run SCF + SO:
3) run SCF as usual, but with "spinorbit" box checked
4) Click Bandstructure in w2web and proceed as usual, but check all
"-so" boxes
I want to calculate the Band-structure of Monolayer silicene in
presence of
Spin orbit coupling, But since silicene is not spin polarized
material, I want to know how
I should run this.
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