[xcrysden] all unit sys are being same why?

[Gavin Abo]

This is happening with the latest XCrySDen version?

If you are perhaps using an older version, I believe versions before 
1.5.60 did not understand the new QE syntax as discussed in the 
following posts:

http://www.democritos.it/pipermail/xcrysden/2014-January/001531.html
http://qe-forge.org/pipermail/pw_forum/2015-June/107132.html

On 1/18/2016 11:25 AM, Muthu V wrote:
> 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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