[Wien] Error in Parallel Optical Calculations

[Chinedu Ekuma]

Dear Wien2k Users,
I have ran a given calculation to convergence in parallel. The calculation is for spin-polarization without spin-orbit. I am using wien2k version 11.1 in intel compiler. Every other thing works fine but when I try to do the optical calculations, it runs perfectly until I x joint -up / dn -p with the error message "Joint Error. Below are the steps I utilized.
1. x lapw2 -fermi -up -p
2. x lapw2 -fermi -dn -p
3. x optic -up -p
4. x optic -dn -p
5. x joint -up -p (error occurs. I have tried it without the -p and it also comes up with the same error).

Your advise will be highly appreciated


 
Regards?
Chinedu Ekuma 

Department of Physics and Astronomy                                               
Louisiana State University                                                   
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