[Wien] a problem about optic property with spin-orbital coupling

[Peter Blaha]

 > 5. run_lapw -so -e lapw1 -s lcore

Does not look right !  You start at lcore and end with lapw ??

>   In my calculation(no spin) of optic property i encountered a problem 
> as follow:
> i can successfully do optic calculation without spin-orbital coupling,
> but when i take into account spin-orbital coupling the case.symmat file 
> is full of NAN(Not a Number) symbol. Who can tell me what's wrong with 
> my calculation?
>  
>    I did my calculation as follows:
> 1. self-consistent calculation
> 2. spin-orbital coupling calculation
> 3. creat a dense k-point file
> 4. change TOT to FERMI in case.in2c
> 5. run_lapw -so -e lapw1 -s lcore
> 6. x opticc -so
>  
>  
> Thank you very much for your help!
>  
> Line shi
>  
>  
>  
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> 
> 
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