[Pw_forum] "scf" calculation with "PBE0" hybrid functional

Narendranath Ghosh ghosh.naren13 at gmail.com
Wed Aug 3 20:16:34 CEST 2016


Dear all

                   After optimizing a system "CNT+Fullerene" with "PBE" I
am trying to calculate "scf" calculation with "PBE0" hybrid functional
using  NC Pseudopotential.

In output file I found "*convergence has been achieved in  15 iterations" *But
the job was not finished even after more than one week. I could not find
any mistake in my input.


Please suggest any idea.
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