[Pw_forum] Fwd: No plane waves
payam.norouzzadeh at gmail.com
Sun Feb 5 17:22:51 CET 2012
---------- Forwarded message ----------
From: Payam Norouzzadeh <payam.norouzzadeh at gmail.com>
Date: Sun, Feb 5, 2012 at 7:33 PM
Subject: Re: [Pw_forum] No plane waves
To: Paolo Giannozzi <giannozz at democritos.it>
Does it mean that I don't need to restart the job because it is happening
in the last step?
Even when I submit a job with last atom coordinates and lattice vectors I
obtained from previous runs but in the "from_scratch" mode the same error
is produced "No plane wave....".Do I need to increase the cutoff energy?
Best regards,Payam Norouzzadeh
On Sun, Feb 5, 2012 at 1:49 PM, Paolo Giannozzi <giannozz at democritos.it>wrote:
> On Feb 4, 2012, at 22:55 , Payam Norouzzadeh wrote:
> I have attached the last lines of output
> if you are running in parallel, there is no guarantee that
> the last lines of output are really the last lines of output.
> The number of plane waves per processor is kept constant
> during a variable-cell optimization, except for the last step
> when the number of plane waves is recalculated. The number
> of plane waves per processor is printed at the beginning, in
> the section
> G-vector sticks info
> sticks: dense smooth PW G-vecs: dense smooth PW
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
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