[Wien] IRelast creates incorrect structure file

[Nestoklon Mikhail]

Dear Dr. Jamal,
Thank you for your answer.
In my question I have two files attached: original unstrained structure and
the structure with 1.5 strain to compute C₄₄ which was prepared by IRelast.
I set the strain -1.5, -1, -0.5, -0.25, 0, 0.25, 0.5, 1, 1.5 . The material
of interest is soft and large values of strain give unphysical results.
The problem is not the small strain value. These problems also occur, but
it is not the case and I know how to solve them.

Sincerely yours,
Mikhail Nestoklon

On Wed, 10 Jul 2024 at 07:17, morteza jamal via Wien <
wien at zeus.theochem.tuwien.ac.at> wrote:

> What are the values of strains??
>
> You should change value of strain to avoid ROUNDING PROBLEM.
>
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