[Pw_forum] Question regarding calculation for elastic constants, shear modulus and young modulus

[Ali KACHMAR]

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: trambui at u.boisestate.edu
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



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