[Pw_forum] problem releated to calculating elastic constants

premlata pandit lataprem29 at gmail.com
Fri Aug 8 12:39:25 CEST 2008


hello
 the experimental lattice constant of Li2S is 10.7867 a.u.
and my calculated equlibrium lattice constant is 10.375 a.u. by using  LDA
pseudopotential in pwscf calculation.
can i use this lattice canstant to calculating  elastic constants?

-- 
Premlata Pandit
Bhopal (MP)
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080808/3b0ecbaf/attachment.htm 


More information about the Pw_forum mailing list