[Pw_forum] Restart problem in espresso4.0cvs3

[Paolo Giannozzi]

On Apr 30, 2008, at 12:04 , Zheng Bing wrote:

> I met some problems when I tried to restart the calculation.

You are restarting from a 'scf' calculation. I am afraid that
this case is not implemented right now. In general, restarting
from the first scf step of any calculation (MD, structural
optimisation, NEB) is not going to work, I am afraid

Paolo
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Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222