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 <[email protected]> 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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