[Wien] optical properties calculations?

[Jian-Xin Zhu]

Dear Peter and Respectful Wien Users,

1/
In the UG, page 147, I notice the following for the optical properties  
calculations ----

In cases of non-spinpolarized calculations WITHOUT inversion symmetry  
AND spin-orbit coupling,
one must do some tricks and “mimick” a spinpolarized calculation:
I cp case.vsp case.vspup                                    Line 1
I cp case.vsp case.vspdn                                    Line 2
I cp case.vectorso case.vectorsoup                     Line 3
I x lapw2 -fermi -so -c                                          Line 4
I cp case.weight case.weightup                          Line 5
I cp case.weight case.weightdn                          Line 6
I x optic -so -up                                                    
Line 7
I x joint -up                                                          
Line 8

As I understand, the first sentence is saying that the case is non- 
spin polarized but has no "Inversion symmetry" and no "spin-orbit  
coupling".
Then in this case, how can the file "case.vectorso" (3rd line of the  
above tricks) is created now that the spin-orbit coupling does not  
exist?
However, from the lines 4 and 7, the "-so" switch is included, I  
suspect the case has the "spin-orbit coupling".

On the other hand, I also read the following paragraph

In order to get the correct matrix elements, the files  
case.vectorso[up|dn] have to be used.
For that purpose the following procedure is recommended:
I run SCF cycle: run[sp] lapw -so
I generate a fine k-mesh for the optics part: x kgen [-so (if  
case.ksym has been
created by symmetso) ]
I change TOT to FERMI in case.in2c
I execute run[sp] lapw -so -s lapw1 -e lcore with this fine k-mesh
I run optic: x opticc -so [-up]
I run joint: x joint [-up]
I run kram: x kram [-up]

It seems the immediately above procedure should also be applicable to  
the non-spin polarized case but with spin-orbit coupling.

I am confused here and very much appreciate a clarification.

2/ Another question:

Does the current "OPTICS" support the LDA+U?


Thanks,

Jianxin



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