[Wien] Reg:structure generation
Swetarekha Ram
swetarekharam at gmail.com
Wed Feb 8 17:37:59 CET 2012
Dear Prof. Blaha and Wien2k users,
I want to generate structure file for LaRhSi3 compounds. This compound
is a noncentrosymmetric system.
And *2 formula unit per cell*.
But when I am generating the structure, I am getting *one formula unit per
cel*l.
For this what should I do ?
Please help me in this regard ?
Here I am writing structural details.
This is having a space group I4mm(107),
lattice parameter a= 4.27 A^0, c=9.8292 A^0
Atomic position of La = 0, 0, 00265
Rh = 0,0, 0.65771
Si1=0,0,0.41350
Si2=0,0.5,0.26503
--
Swetarekha Ram,
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