[Wien] The DOS of orthorhomic structure has been shifted down

[Bagher Ahmadi]

Dear Prof. P. Balaha

I have two questions:

1-When I have calculated the total DOS of a perovskite cubic structure by wien2k is O.K. but for the orthorhombic structure of the same material the total DOS and also band structure is shift about -5eV down. I wonder, if possible, could you please let me know, how I can fix it.

2- What is the scale of energy for ELNES curves.(i.e eV or keV).  

Best Wishes

Bagher Ahmadi

I have two questionsWhen I have calculated the total DOS of a perovskite cubic structure by wien2k is O.K. but for the orthorhombic structure of the same material the total DOS and also band structure is shift about -5eV down. I wonder, if possible, could you please let me know, how I can fix it. 

Best Wishes

Bagher Ahmadi

 




		
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