[Wien] Directions in OPTIC program

Dileep Krishnan dileep at jncasr.ac.in
Tue Oct 27 11:04:22 CET 2015


Dear users and developers,

I am using OPTIC program in wien2k to calculate the optical properties in hexagonal system MoS2 where my lattice vectors are nonorthogonal. I get imaginary part of the dieclectric function as eps(xx), eps(yy), and eps(zz). I assume that the eps(xx) will be along the a lattice vector, yy and zz are orthogonal to it. Am I correct or are they along the 3 lattice vectors?


-- 
Dileep Krishnan,
Int. Ph. D Student,
International Centre for Materials Science (ICMS),
Jawaharlal Nehru Centre for Advanced Scientific Research (JNCASR),
Jakkur, Bangalore-560064,
INDIA.


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