[Wien] WIEN(Spin orbit calculation)

Mahmoud Farout mq2021 at yahoo.com
Fri Oct 22 21:18:18 CEST 2010


I am working with FeN compound , and want to do spin orbit calculation .
so I tried a usual calculation without so then save files
after that I started the initso the run SCF cycle with so , but I face a problem with an error
after lapw1 has finished
this is the error

forrtl :severe(64) : input conversion error , unit 5, file ./root/........./test_so.inso
image           routine            line             source
lapwso         080d6b80        unknown     unknown
   .                  .                     .                .
   .                  .                     .                . 
   .                  .                     .                .
lapw.so.6     001167E4       unknown      unknown

I don't know what is the problem
this is my first time in so calculation
if you please an answer for my problem
thank you 




      
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