Dear Tram, Please find below two posts are useful to what are you willing to do
http://www.democritos.it/pipermail/pw_forum/2012-May/024015.html http://www.democritos.it/pipermail/pw_forum/2011-November/022483.html Ali Date: Fri, 18 Jan 2013 13:47:50 -0700 From: [email protected] To: pw_forum at pwscf.org Subject: [Pw_forum] Question regarding calculation for elastic constants, shear modulus and young modulus Dear all QE Users, Would you give me some insight information on how to set up the input files in order to calculate for the following material properties? elastic constant, shear modulus (G) and young modulus (E). If there is an tutorial on this, would you please direct me to it? Best regards, Tram Bui M.S. Materials Science & Engineering trambui at u.boisestate.edu _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://pwscf.org/mailman/listinfo/pw_forum -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130118/f66904a4/attachment.html
