[Wien] correctness of elastic constants

Subhra Kulshrestha kuls_gwl2 at yahoo.com
Tue Nov 30 07:31:28 CET 2010


Respected Prof. Blaha and Dear Wien users,
 
There is confusion related to elastic constant of cubic crystals in the published literature.  Kindly see the attached file where equations with (*) and (**) have been written differently by different workers.  Few of them wrote 3 ( Bouhemaou et al. Computational Materials Science 45(2009)474.  Bouhemaou et al. Computational Materials Science 38(2006)263.
Bouhemaou et al.  theochem 777(2006)5.) while others used 6 ( M. B.Kanoun Solids State electronics (2004) and Z. Charifi . JPCM 17 (2005) 4083) in equatin (*).  In the same way, in equation (**) some have used 1/3 and some other have used 1/6.
 
Kindly guide us about the correctness of the terms.
 
with kind regards and thanks,
 
Subhra Kulshrestha

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