[Pw_forum] CO/Cu(100) phonon calculation problem.

[Alcantara Ortigoza, Marisol]

Thanks for replying.

No. Before everything went OK; convergence was achieved after 15
iterations or so. It is just now.

Marisol

-----Original Message-----
From: pw_forum-admin at pwscf.org [mailto:pw_forum-admin at pwscf.org] On
Behalf Of Paolo Giannozzi
Sent: Tuesday, August 23, 2005 10:56 AM
To: pw_forum at pwscf.org
Subject: Re: [Pw_forum] CO/Cu(100) phonon calculation problem.


On Tuesday 23 August 2005 17:43, Alcantara Ortigoza, Marisol wrote:

> I've been running a phonon calculation (54 modes).
> Everything was OK but suddenly things went wrong at mode 22

what you are showing is the output of a run that is restarting from mode
22. Did things go wrong in the preceding run as well?

Paolo

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
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