[Wien] running calculation
Peter Blaha
pblaha at theochem.tuwien.ac.at
Mon Jul 13 09:19:05 CEST 2015
Nothing is lost when a time limit kills your job.
Usually you can just resubmit the next job (and put -NI into the
run_lapw command).
For a higher k-mesh afterwards:
save_lapw first_mesh
x kgen (with more points)
run_lapw ...
On 07/13/2015 08:00 AM, lokanath patra wrote:
> Dear users,
> A supercell calculation with lower kpoints is running and it's
> converging very slowly.it <http://slowly.it> seems to take more time
> than I have given at the time of submission of the calculation.If the
> time gets over, it's not going to save any result.Is there any way to
> use the result of that calculation for higher kpoints during running??
>
> Thanks in advance.
>
> --
> Lokanath Patra
> Ph.D Scholar
> Dept. of Physics
> School of Applied and Basic Sciences
> Central University of Tamil Nadu
> Thiruvarur
> Tamil Nadu - 610101
> Ph no - +91-8675834507
>
>
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--
P.Blaha
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