[Pw_forum] HSE+MD in QE

jiayu dai jydai203 at 163.com
Thu Sep 29 12:17:15 CEST 2016

Hello everybody. I am inquiring that if it is possible to do calculations of MD with HSE functional, although it is expensive. That is to say, if the forces from HSE energies have been added at the present stage?

Thanks a lot.




Jiayu Dai (戴佳钰)

Associate Professor,

Department of Physics,

National University of Defense Technology

Changsha, 410073, P. R. China

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