[QE-users]  Different SCF energy when # of MPI is changed
    KRISHNENDU MUKHERJEE 
    krishnendu at nmlindia.org
       
    Wed Oct 19 12:42:32 CEST 2022
    
    
  
Dear Takahiro Chiba, 
Isn't that the degauss value should be in between 0.01 to 0.02 Rydberg. That is mentioned by Nicola Marzari in his lecture. 
Regards, 
Krishnendu 
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