[Pw_forum] mixed 2nd derivatives - wrt atomic positions and strain

Konstantin Kudin konstantin_kudin at yahoo.com
Mon Oct 31 22:33:15 CET 2005


 Hi there,

 2nd derivatives wrt (with respect to) atomic positions twice are force
constants, and can be used to compute phonons.

 2nd derivatives wrt strain twice give stress tensor.

 Does anyone know a good reference where I could read about mixed 2nd
derivatives of these two?

 Thanks!
 Kostya

 
 


		
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