Dear Kada, > i read in the forum that i have to put 0 ibrav to do the calculation
You should specify ibrav=0, if you choose basis vectors manually, i.e. you specify CELL_PARAMETERS. Nobody can help you until you submit your input file. Please do not forget about your affiliation. 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: kada galami <[email protected]> To: pw_forum at pwscf.org Sent: Mon, December 27, 2010 12:52:53 PM Subject: [Pw_forum] elastic properties hi i want to do the elastic properties of cubic structure i read in the forum that i have to put 0 ibrav to do the calculation but when i do the monoclinic deformation i have a error : from latgen : error # 8 wrong celldm(2) wha -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20101227/7c1de96a/attachment.htm
