[Wien] Query regarding elastic constants of SnSe2

[shamik chakrabarti]

Dear Wien2k users,

                    I have simulated elastic constants of SnSe2 using
IRElast Package interfaced with wien2k. I have obtained 5 constants as;
c11=94.575, c12=27.192, c13=23.2555, c33=102.7 and c55=22.384
However, in literature, it is indicated that there are 6 constants;
c11=111, c12=33.39, c13=33.08, c33 = 22.63, c44=44.48, c66= 38.80.

My queries are ;
(1) I have obtained c55 (with 5 constants) while literature shows c44 & c66
(with 6 constants). Why?
(2) There is a big mismatch in the value of C33. Why?

Looking forward to hearing from you.

with regards,

-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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