[Wien] Problem faced during elastic constant calculation using Elast package.

[upasana Rani]

Thank you sir

On Sat, Sep 19, 2020 at 7:54 PM Gavin Abo <gsabo at crimson.ua.edu> wrote:

> It is likely that you have to follow the previous advice in the mailing
> list archive regarding those WARNING by running (for example, see [1-3]):
>
> x nn
> cp case.struct_nn case.struct
>
>
> [1]
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05509.html
> [2]
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg05513.html
> [3]
> https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07769.html
>
> On 9/19/2020 8:02 AM, upasana Rani wrote:
> > Dear Users,
> > Greetings!
> > I am working on the calculation of elastic constants by using  Elast
> > (for cubic) package.
> > The  eos.job and rhomb.job runs smoothly but as I enter parameters to
> > set rmt for tetra, I have faced an error.
> >
> >
> >
> ---------------------------------------------------------------------------------------------
> > WARNING: Mult not equal. PLEASE CHECK outputnn-file
> >  WARNING: ityp not equal. PLEASE CHECK outputnn-file
> >
> ----------------------------------------------------------------------------------------------
> >
> >
> > Kindly tell the solution.
> > Thanks!
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