The ElaStic tool is able to calculate elastic constants for all lattice types 
including trivonal systems. Just google for "elastic mcl" in the relatef cpc 
paper you will also find useful informtion on how the choice of coordinate 
system impacts the values of the elements if the elastic tensor,especially in 
trigonal regards,jürgen 
Von: Wien []" im Auftrag von 
"yasir javed []
Gesendet: Donnerstag, 22. September 2016 07:22
Betreff: [Wien] Elastic Constants of Trigonal Systems

I am new to WIEN2k. I am in need for help from the experts in finding the 
elastic constants.

I am interested in finding out the elastic constants of trigonal systems by 

There are packages available for hexagonal, tetragonal, orthorhombic and cubic 
systems. What should I do for Trigonal systems.

I have used the hexagonal package but I have obtained quite large values for 
one constant and very large negative values for another.

One of the plot also shows oscillations and it is not correct.

Kindly guide me.


Yasir Javed

Department of Metallurgy and Materials Engineering (DMME),

Pakistan Institute of Engineering and Applied Sciences (PIEAS)


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