[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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