[Pw_forum] EXX on 1D supercells fail - solved

[Madan Mithra. L. M]

Dear Prof. Giannozzi,

I have found that removing 'ecutrho' from the input file makes the job to run.

Thank you

- Madan

> Date: Thu, 30 Sep 2010 12:40:14 -0700 (PDT)
> From: "Madan Mithra. L. M" <snd2mra at yahoo.com>
> Subject: [Pw_forum] EXX on 1D supercells fail
> To: pw_forum at pwscf.org
> Message-ID: <38919.63978.qm at web53308.mail.re2.yahoo.com>
> Content-Type: text/plain; charset=us-ascii
> 
> Dear All,
> 
> I compiled the latest version of pwscf (4.2.1) on IBM
> Power5 machine (xlf compiler) as well as on Dell Cluster
> (Intel ifort 11.1.056). In both cases, calculation including
> EXX (PBE0) fails on 1D supercell. However, the same job ran
> without dumping the core with pwscf 4.1.3. Any suggestion ?
> I would like to use the latest version as it supports
> restarting the EXX calculation.
> 
> Thank you
> 
> - Madan
                         ----------------------------------------
                         Madan Mithra .L.M
                         Senior Research Fellow
                         Dept.of Physics
                         Indian Institute of Science
                         Bangalore - 560 012
                         INDIA
                         .........................................
                         e-mail : mit at physics.iisc.ernet.in
                                : snd2mra at yahoo.com
                         Phone  : 91-80-22932313    (Lab)
                         FAX    : (080) 360 2602
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