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

[Paolo Giannozzi]

On Tuesday 23 August 2005 18:00, Alcantara Ortigoza, Marisol wrote:

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

"before" what event ? The output you sent is not the output
of a run performing a calculation from the beginnning, i.e. from
mode 1 to mode 3*N atoms; it is the output of a run restarting
from a previous run that was interrupted in mode 22. Is this what
you intended to do? Paolo

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