[QE-users] local-TF mixing_mode and supercell of random binary solid solution

[KRISHNENDU MUKHERJEE]

Dear Community, 

Is it appropriate to use mixing_mode = ‘local-TF’ , in case of a supercell containing two different type of atoms. (The supercell would be Special Quasi-random structure (SQS) for random binary solid solution). 
I have started to use the mixing_mode = ‘local-TF’ and it is giving better convergence as compared to the default mixing_mode. 

Regards, 
Krishnendu 


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