[xcrysden] all unit sys are being same why?

Muthu V muthu.physicsmath at gmail.com
Mon Jan 18 19:25:32 CET 2016


Dear all
here i have attached my input file where i have defined Si-110 surface unit
cell. i have used ibrave =0 and then defined cell_parameters bohr,
initially.

CELL_PARAMETERS bohr
     7.343274350    0.000000000    0.000000000
     0.000000000    7.343274346    0.000000000
     0.000000000   -0.000000000   10.240261020

but  what i have observed is that when i changed unit system bohr to
angstrom as
CELL_PARAMETERS angstrom
     7.343274350    0.000000000    0.000000000
     0.000000000    7.343274346    0.000000000
     0.000000000   -0.000000000   10.240261020
the bond length is still unchanged but 1 bohr  = 0.5294angstrom so i expect
bond changes in bond length since i change only the unit system and not the
numerical values

so where is the mistake?
Thank you

*---------------------------------*


*​Muthu V​​Sri Paramakalyani College​---------------------------------*
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