[Pw_forum] Incomplete output in HSE calculation
p.giannozzi at gmail.com
Wed Nov 18 07:31:42 CET 2015
The code first performs a self-consistent calculation without the exact
exchange potential. Next iterations are MUCH slower than the first one. If
the code is still running, just wait; if not, it might have crashed due to
insufficient memory or other reasons
On Wed, Nov 18, 2015 at 7:18 AM, Vipul Shivaji Ghemud <
vipul at physics.unipune.ac.in> wrote:
> I am doing HSE calculation, and using following flags. But, the output
> 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
> Is there anything else i need to add?
> Vipul S. Ghemud
> Ph.D. student.
> Dept of Physics,
> SPPU, Ganeshkhind,
> Pune- 411007.
> Pw_forum mailing list
> Pw_forum at pwscf.org
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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