<div style="line-height:1.7;color:#000000;font-size:14px;font-family:Arial"><div>Hi, Paliwal,<br><br>You may use the small tool - <i>spacegroup</i> - in ELK package to convert space group number to ibrav=0 + CELL_PARAMETERS set.<br>Or, you could also choose the small code - <i>cif2cell</i> - to complete the space group number to the format PWscf uses.<br>Kind Regards,<br><br></div><div style="position:relative;zoom:1">--<br>GAO Zhe, Dr., 
<div>Research Engineer, <br>Gypsum Activity R&D - Asia,</div>
<div>Saint-Gobain Research Shanghai Co., Ltd.,<br></div>
<div>No. 55, Wenjing-road, Minhang-district, Shanghai, China,<br>Tel: +86-21-5475-7251<br></div><div style="clear:both"></div></div><div id="divNeteaseMailCard"></div><br>At 2016-12-23 16:10:48, "Uttam Paliwal" <uttamphy@gmail.com> wrote:<br> <blockquote id="isReplyContent" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid"><div dir="ltr"><div><div><br clear="all"></div>Hi<br></div> how to provide crustal space group number (eg 216 for zinc blende type) instead of <i>ibrav</i> lebel.<br><div><div>-- <br><div class="gmail_signature" data-smartmail="gmail_signature"><span style="font-family:verdana,sans-serif;color:rgb(0,0,0)"><br></span></div>
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