[Pw_forum] input of B10 STRUCTURE

[Wang Di]

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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>


-- 
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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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