[Pw_forum] input of B10 STRUCTURE

[bhabya sahoo]

how can one give the spce group for tetragonal and orthorombhic structures
in espresso


On Tue, Aug 30, 2011 at 8:43 AM, Wang Di <didi5158 at gmail.com> wrote:

> Dear sahoo:
>
> the simplest method is that: no matter the crystal structure are primitive,
> face, base or body one, simply set the primitive one, then import the
> position of all atoms in the unit cell.  (the position of all atoms can get
> from the *.cell file using Ms software)
>
> wang di
>
> 2011/8/30 bhabya sahoo <bdslipun at gmail.com>
>
>> WHAT SHOULD BE THE INPUT STRUCTURE OF B10 IN ESPRESSO
>> what should be the value of ibrv  either tetragonal primitive or bct and
>> what is the position of atoms in the unit cell(no of atoms)
>> beacause i am not getting the true structure in Crystden view.
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>> bd sahoo
>> reserch scholar
>> barc
>> mumbai
>>
>>
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>>
>
>
> --
> -----------------------------------------------------------------
> *Wang Di**
> The Crystal Lab,*
> *AnHui Institute of Optics and Fine Mechanics, ***
> *Chinese Academy of Sciences,**
> No350. , Shushanhu Road, Hefei, 230031, China**,
> E-mail: WangDiean at gmail.com** ,*
> -----------------------------------------------------------------
>
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