Dear Pikee: I think volume change -5~5% or -10~10% can give reasonable result.
On Sun, Jan 16, 2011 at 3:55 AM, pikee priya <pikeepriya at gmail.com> wrote: > Hi , > > Can you help me with the strain range to be considered for fitting in > polynomial curves for finding the bulk modulus and elastic constans(c11, c12 > and c44) for cubic metals. > > Regards, > Pikee. > IISc, Bangalore. > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- ____________________________________ Hui Wang School of physics, Fudan University, Shanghai, China -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110116/eeea34c4/attachment.htm
