[QE-users] How to apply frac-patch.diffs patch for fft order too large error

[Paolo Giannozzi]

It is a good idea to set "alat" to the "true" lattice parameter, not to 1
(although the code should work irrespective of the value chosen for "alat",
as long as the cell and the atomic positions are correct)

Paolo

On Sun, Apr 19, 2020 at 6:22 PM rekha sharma <rekha1997jpr at gmail.com> wrote:

> hmm, Sorry.
>
> My fault. defined alat=X and  a11=X in CELL_PARAMETERS alat
> Defining alat=1 cured the problem.
>
> Thank you very much for your response and inconvenience is regretted.
>
> Best Wishes
> Ms. Rekha
>
>
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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