Dear users and developers,
Could somebody tell me how to perform MD with HSE functional in QE? Basically,
we use the variable "input_dft" to control the HSE functional in QE, but it
seems difficult to perform MD in that case. Could we use only HSE functional
such as PBE0 exchange-correlation term to perform MD? Of course, we should have
PBE0 pseudopotentials firstly.
Best wishes,
Jiayu
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Jiayu Dai (戴佳钰)
Department of Physics,
National University of Defense Technology
Changsha, 410073, P. R. China
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