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<div class="moz-cite-prefix">Dear Junaid,<br>
<br>
A cif file is sufficient. It corresponds to "crystallographic
input file". <br>
However you must consider carefully the space group setting. <br>
Indeed, it should be in adequation with the one used by WIEN2k. <br>
An easy manner to check this point is to compare the bond
distances obtained by "x nn" program with the ones obtained from a
crystallographic visualization program. <br>
<br>
Cheers<br>
<br>
Xavier<br>
<br>
<br>
Le 1/6/2014 7:08 AM, Junaid Munir a écrit :<br>
</div>
<blockquote
cite="mid:1388988520.81443.YahooMailNeo@web122606.mail.ne1.yahoo.com"
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<div>Respected Members,</div>
<div> </div>
<div> Is CIF enough to develop the
structure file? Or we have to add the position of atoms
individually?</div>
<div><br>
</div>
<div style="color: rgb(0, 0, 0); font-size: 16px; font-family:
HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida
Grande', sans-serif; background-color: transparent;
font-style: normal;"><br>
</div>
<div style="color: rgb(0, 0, 0); font-size: 16px; font-family:
HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida
Grande', sans-serif; background-color: transparent;
font-style: normal;">Regards,</div>
<div style="color: rgb(0, 0, 0); font-size: 16px; font-family:
HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida
Grande', sans-serif; background-color: transparent;
font-style: normal;">Junaid </div>
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