[QE-users] Hybrid functional cell shape relaxation

2020-08-31 Thread Mona Asadinamin
Dear experts and developers; Is cell shape relaxation for hybrid functionals going to be implemented anytime soon? Best regards; Mona Asadi Namin Graduate student Center for simulational physics University of Georgia --

[QE-users] hybrid functional

2020-05-11 Thread Fariba Islam
Dear users, Where can I learn more about hybrid functional? How to choose different parameters? I am using ONCV pseudopotential. I got a band-gap of 1.5eV using HSE, is it normal? Regards Fariba Islam Bangladesh University of Engineering and Technology

[QE-users] hybrid functional

2020-05-11 Thread Fariba Islam
Dear users, Where can I learn more about hybrid functional? How to choose different parameters? I am using ONCV pseudopotential. Regards ___ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list