I am doing HSE calculation, and using following flags. But, the output reads:
the Fermi energy is 7.8327 ev
convergence has been achieved in 33 iterations
But, it is not writing Total energy and other outputs. The input is as
follows:
input_dft='HSE'
exx_fraction=0.25,
screening_parameter=0.2,
exxdiv_treatment='vcut_spherical',
x_gamma_extrapolation=.false
Is there anything else i need to add?
--
Vipul S. Ghemud
Ph.D. student.
Dept of Physics,
SPPU, Ganeshkhind,
Pune- 411007.
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