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Dear QE users,
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<div>I tried to perform a beef-vdw calculation with ensemble_energies = .true. just to get:</div>
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<div>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%</div>
<div> Error in routine read_namelists (1):</div>
<div> bad line in namelist &system: " ensemble_energies = .true." (error could be in the previous line)</div>
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<div>Looking at the code it seems that the only way to do it is to specify calculation = ‘ensemble’</div>
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<div>Is this the intended behaviour? (QE 7.1)</div>
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<div>Best regards,</div>
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<div>-----------------------------------------<br>
Tom Demeyere MSc<br>
PhD student<br>
Skylaris Research Group<br>
School of Chemistry, University of Southampton<br>
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