[Pw_forum] pressure derivative of elastic constant

Bipul Rakshit bipulrr at gmail.com
Tue Jun 22 11:39:41 CEST 2010


Dear PWSCF user,
I want to calculate the pressure derivative of elastic constant for some of
my cubic materials (ScP, ScN in NaCl phase). Please anybody tell me the
procedure or refer any paper, where i get the method of calculating the
pressure derivative of elastic constants (C11, C12, C44)


regards

-- 
Bipul Rakshit
Research Fellow,
S N Bose Centre for Basic Sciences,
Salt Lake,
Kolkata 700 098
India
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