Dear Users of Wien2k

I want to simulate optical properties of a perovskite compound.
In the literature people have reported a sharp peak at 1.6 eV while I am
not getting it.
Here is the file
<https://4bd1924d-a-62cb3a1a-s-sites.googlegroups.com/site/dftfatima5/letter/mailing-list-queries/Absorption_coefficient.png?attachauth=ANoY7cottCJOZn3Afo6jLa05Fk-5Jy36NnV8DRNHgLL_dHfHMBCw8ZvpgSjsHdA827lE4iFepfkZLcqkcwC-sKq2EL7BGqTD3GnBIEMJ7gADbAKqy4n-Y9j7JGip_nUo0tDPYTzGQ9pw6nyMGffa6LVrFi5poMsxfAQ7EVNnCs0obbn7xImxRBQAHdreUJ2mPBvEGCQIOHcXCsOMY5FoHivNKtHWhjZ9Q-URHHlT1iK2KCkSHZuQ_idqfRFbaiWIuGIeIHQ8wHORfLqeCc3wqYh47nerbefTIQ%3D%3D&attredirects=0>
from
literature and here is the file that
<https://4bd1924d-a-62cb3a1a-s-sites.googlegroups.com/site/dftfatima5/letter/mailing-list-queries/Capture_my.PNG?attachauth=ANoY7cpLCp06Ivw_ZmtS8TtF6RWDD1wI3jM92_wlf5LjiKgMdBqsJSFIsKr-ieYQKHE96wg5NV0dwlFiDKt3xL9KTAPrq4O-zT_R5c6UoyD59toDHCIlPfRnpVMHCILAO6NPb01jeDDwgSufK--c8JNB653TpgPkrLZTNorT-mUK1p7eoF7m7ewMXmQm2oCdeUaBfMO5z1fgvHrq-WYqGoUtwAZ7ZIXY2hxLCmLmMEF5kO0n0hl9yBhJ5iTlXWMsCTw240mApHWR&attredirects=0>
I got from Wien2k.
Does including -SO in the calculation may effect the shape of the
absorption curve?


Regards
Fatima
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