[Pw_forum] Errors with structure optimization

[stefano de gironcoli]

I think this happens because the cell shrinks very much and the 
effective cutoff grows above beyond a certain fraction (set with the 
cell_factor) of the input cutoff.
restarting after setting a larger cell_factor should work.
restarting from scratch from the latest volume should also work.

stefano


On 26/10/2016 10:38, Oanh Nguyen wrote:
> Dear users!
> I am optimising "vc_relax" for PdxTaSe2. I have a problem when I am 
> running.
> Not enough space allocated for radial FFT: try restarting with a 
> larger cell_factor.
> Running with "relax" is ok
>
> Here is my inputfile.
> I already use lattice constant from experimental result.
>
> How to the way to fix it?
>
>
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