<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div><br>> I want to construct the corresponding crystal structure information for <br>> pwscf based on the above content. Any hints?</div><div><br></div><div>You have all the information to build the crystal structure. Please read carefully the page info. <br></div><div><br></div><div>Bests,</div><div>Eyvaz.<br></div><div> </div><div>-------------------------------------------------------------------<br>Prof. Eyvaz Isaev, <br>Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden <br>Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, <br>isaev@ifm.liu.se, eyvaz_isaev@yahoo.com<br></div><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><font
face="Arial" size="2"><hr size="1"><b><span style="font-weight: bold;">From:</span></b> Hongsheng Zhao <zhaohscas@yahoo.com.cn><br><b><span style="font-weight: bold;">To:</span></b> PWSCF Forum <pw_forum@pwscf.org><br><b><span style="font-weight: bold;">Sent:</span></b> Sunday, July 17, 2011 7:24 AM<br><b><span style="font-weight: bold;">Subject:</span></b> [Pw_forum] Input file for MgB2C2.<br></font><br>Hi all,<br><br>I obtain the xyz format crystal structure information for MgB2C2 - with <br>the spacegroup of Cmca (#64) - from the following webpage:<br><br><a href="http://cst-www.nrl.navy.mil/lattice/struk.xmol/mgb2c2.pos" target="_blank">http://cst-www.nrl.navy.mil/lattice/struk.xmol/mgb2c2.pos</a><br><br> <br><br>I want to construct the corresponding crystal structure information for <br>pwscf based on the above content. Any hints?<br><br>Regards<br>-- <br>Hongsheng Zhao <<a ymailto="mailto:zhaohscas@yahoo.com.cn"
href="mailto:zhaohscas@yahoo.com.cn">zhaohscas@yahoo.com.cn</a>><br>School of Physics and Electrical Information Science,<br>Ningxia University, Yinchuan 750021, China<br><br>_______________________________________________<br>Pw_forum mailing list<br><a ymailto="mailto:Pw_forum@pwscf.org" href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br><a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br><br><br></div></div></div></body></html>