[QE-users] Ensemble_DFT simulation

[KRISHNENDU MUKHERJEE]

Hello, 




Kindly let me know the meaning of the outputs tempp or Tion(K). 

I set tempw = 900.D0, but these outputs were fluctuating and went as high to 2.668054E+03. Should I run the calculations till the Tion(K) stabilizes at 900 K? 



Regards, 

Krishnendu 

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