Outputs reg

[Sudha Priyanka]

Dear Experts,

I am not getting similar.dat output instead I'm getting struc.dat. Are both the same? 

Please also explain to me how to determine whether the calculation is finished or not. I'm concerned about why some of my calculations are returning the same energy value for all the structures in the result folder. For your kind reference, I've included my input and output files in a zip file. Please review this and let me know what I'm doing incorrectly.

I appreciate your assistance in advance. Any help would be much appreciated in this area.

PS: This is 2D material and calculation follows the same

Thanking You

With best regards

Sudha

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