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For monoclinic systems, you have many settings and usually WIEN2k is
using one of them (containing the inversion center at the origin if
I remember). <br>
In your case, you should convert yourself your C2/m structure file
in B2/m. Such an operation is not difficult and if you need you can
use free programs such as powdercell. <br>
<br>
Regards<br>
<br>
Xavier<br>
<br>
<br>
<br>
On 11/30/2011 06:36 AM, yedu kondalu wrote:
<blockquote
cite="mid:CABJwmWdZrg9+zWgiKyUz9zDFxmDc6QXRqR+MeVnB1+LrkQA4Ag@mail.gmail.com"
type="cite"><br clear="all">
Dear Wien2k users,<br>
<br>
we are using wien2k_11 version, in which the
monoclinic space group 12 has only one space group i.e B2/m, but
our crystal structure belongs to C2/m (12) space group, which is
not available in this version of Wien2k. <br>
How to include the space group which we need ?? <br>
<br>
Thank you very in advance <br>
<br>
<br>
Regards<br>
Yedukondalu<br>
<br>
<br>
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