[Pw_forum] Re: Restart of spin polarized calculations in pwscf 2.0.
sbraccia at sissa.it
Fri Apr 16 17:50:12 CEST 2004
On Friday 16 April 2004 03:21 pm, Andrea Vittadini wrote:
> I have just realized that the restart problem occurs with any kind of
> PWSCF calculation (not only spin polarized ones...)
> It is possible to circumvent the problem by explicitly adding the
> startingwfc and startingpot cards.
> A. Vittadini
Can you specify what is the "restart problem". Does the program crash ? Does
it print out an error message ? Does it restart from scratch instead of
restarting from file ?
I need some more information to understand where is the problem because I'm
working with the same version and I don't have any restart problem.
If it is true that you have to explicitly add the startingwfc and startingpot
keywords, this means that there is a bug somewhere, highlighted by your input
file and not by mine.
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