Dear Michael Mehl, I have read the two papers http://cst-www.nrl.navy.mil/users/mehl/papers/cij453.pdf
and Phys. Rev. B 47, 2493 (1993) , But my question is, they have given only two equation, and our unknown quantity are 3 (C11, C12, and C44). So can we find three unknown quantity from two equations acuratelly. On Thu, Jul 16, 2009 at 10:27 PM, Michael Mehl <rcjhawk at gmail.com> wrote: > Bipul Rakshit wrote: > > > Because in order to calculate 3 elastic constants (C11, C12 and C44) we > > require 3 equations, so do I have to use the above three equations, both > > type (volume conservative and non-conservative) to calculate a single > > set of elastic constants? > > Yes. > > > > > please guide me for the same. > > You'll have to compute the bulk modulus at same volume that you use to > compute C44 and C11-C12. In a cubic system B = (C11+2 C12)/3, giving > you enough information to get all three elastic constants at that volume. > > There are many, many programs that will compute B(V), see this list's > archives for details. > > My favorite reviews of the subject are: > > http://cst-www.nrl.navy.mil/users/mehl/papers/cij453.pdf > > and > > Phys. Rev. B 47, 2493 (1993) > > but I may be somewhat biased. > > -- > Michael J. Mehl, Naval Research Laboratory, Washington DC > On Sabbatical at Duke University until 31 July 2009 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Bipul Rakshit PhD Student, Barkatullah University, Bhopal 462026, MP, India -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090716/dc26a60f/attachment.htm
