[Pw_forum] Incomplete output in HSE calculation

Vipul Shivaji Ghemud vipul at physics.unipune.ac.in
Wed Nov 18 07:18:41 CET 2015


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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