[Wien] Query regarding elastic constants of SnSe2
    morteza jamal 
    m_jamal57 at yahoo.com
       
    Sat Aug 10 13:43:59 CEST 2024
    
    
  
When the sensitivity of elastic constant calculations ignores with respect to the order of fit.
However from view point of theory, when the strain is small ( very small) , the optimized value for order of fit is 2. 
IRelast package checks sensitivity of elastic constants calculations  to the order of fit and prints them.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20240810/119e18a5/attachment.htm>
    
    
More information about the Wien
mailing list