> I want to construct the corresponding crystal structure information for > pwscf based on the above content.? Any hints?
You have all the information to build the crystal structure. Please read carefully the page info. Bests, Eyvaz. ? ------------------------------------------------------------------- Prof. Eyvaz Isaev, Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, isaev at ifm.liu.se, eyvaz_isaev at yahoo.com ________________________________ From: Hongsheng Zhao <zhaohs...@yahoo.com.cn> To: PWSCF Forum <pw_forum at pwscf.org> Sent: Sunday, July 17, 2011 7:24 AM Subject: [Pw_forum] Input file for MgB2C2. Hi all, I obtain the xyz format crystal structure information for MgB2C2 - with the spacegroup of Cmca (#64) - from the following webpage: http://cst-www.nrl.navy.mil/lattice/struk.xmol/mgb2c2.pos ? I want to construct the corresponding crystal structure information for pwscf based on the above content.? Any hints? Regards -- Hongsheng Zhao <zhaohscas at yahoo.com.cn> School of Physics and Electrical Information Science, Ningxia University, Yinchuan 750021, China _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110716/89826740/attachment.htm
