[QE-users] Ensemble_DFT simulation

[KRISHNENDU MUKHERJEE]

Hello, 

Is it not possible to do ensemble_DFT simulation in variable cell (vc) mode? This is because when I set tempw = 900.D0, the cell volume should increase than what I did input as cell volume at ground state. This can cause the temperature fluctuation as I have reported before. 

Regards, 
Krishnendu 


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