[Pw_forum] Fwd: Help

[Pradip Shelke]

Dear Matic Poberznik
Thank you very much Solved the problem
With best regards
Pradip Shelke

On Mon, Apr 10, 2017 at 9:19 PM, Matic Poberznik <matic.poberznik at gmail.com>
wrote:

> Dear Pradip,
>
> > CELL_PARAMETERS angstrom
> >    1.67981234   2.90856546      -0.07019054
> >    1.67980068   2.90854117      0.07008386
> >    0.00000000   0.00000000      20.00000000
>
> Your cell parameters are nearly linearly dependent ( with a little
> rounding the determinant is 0), also xcrysden is unable to open the
> structure are you sure these are correct or is there a minus missing
> somewhere?
>
> From octave:
> >> cellp = [ 1.6798   2.9085      -0.0700 ;   1.6798   2.9085
> 0.0700 ;    0.00000000   0.00000000      20.00000000 ]
> cellp =
>
>     1.67980    2.90850   -0.07000
>     1.67980    2.90850    0.07000
>     0.00000    0.00000   20.00000
>
> >> det(cellp)
> ans = 0
>
> Hope this helps,
>
> Best Regards,
>
> Matic Poberznik
> J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia
>



-- 
Dr. Pradip B. Shelke
Associate Professor,
Department of Physics,
Ahmednagar College, Ahmednagar, India.
Contact: 9422226924
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