[ase-users] Restarting a calculation

[Marcin Dulak]

Hi,

the following example makes use of restarting a calculation
http://gilgamesh.cheme.cmu.edu/doc/software/jacapo/2-bulk/2.5-band-structure/2.5.0-band-structure.html
and śhould work with the latest stable release (3.5.0) of ASE3:
https://wiki.fysik.dtu.dk/ase/download.html
The release 3.4.1 has a bug (see 
https://listserv.fysik.dtu.dk/pipermail/ase-users/2011-March/000973.html) 
preventing loading of the nc file:

Best regards,

Marcin

Tadeu Leonardo Soares e Silva wrote:
> Dear Marcin.
>
> Can you help me, please?
>
> What should I to make to restart a calculation in Jacapo? I am trying to use 
> https://wiki.fysik.dtu.dk/ase/ase/calculators/jacapo.html, but I do not get 
> to make it.
>
> Sincerely,
>
> Tadeu 
>
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-- 
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Marcin Dulak
Technical University of Denmark
Department of Physics
Building 307, Room 229
DK-2800 Kongens Lyngby
Denmark
Tel.: (+45) 4525 3157
Fax.: (+45) 4593 2399
email: Marcin.Dulak at fysik.dtu.dk

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