[Wien] Elastic Constants of Trigonal Systems

[yasir javed]

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
WIEN2k.

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.


Regards

Yasir Javed

Department of Metallurgy and Materials Engineering (DMME),

Pakistan Institute of Engineering and Applied Sciences (PIEAS)

Pakistan
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