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

[Narendranath Ghosh]

Dear all
                I could not complete my last PBE0 "scf" job containing 434
atoms (CNT+Fullerene). The job could not stop but still running without
writing any more in the output file. These lines are written in  the output
34 hours ago .I have tried it twice but I found same thing.

     EXX: now go back to refine exchange calculation

     total cpu time spent up to now is    42069.2 secs

     Self-consistent Calculation

     iteration #  1     ecut=    30.00 Ry     beta=0.45
     Davidson diagonalization with overlap

I could not understand what's happening.I have used 24 node with 384
processors.I have alter ecut, cell length, beta values nothing happened.

Please suggest any idea.......

*Narendra Nath Ghosh*

*Research Associate*

*University of Gour Banga*

*Department of Computational Physics *

*Malda-732102*

*India*
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