[Wien] perpendicular and parallel components of the off-diagonal sigma

Tarik Ouahrani tarik_ouahrani at hotmail.com
Sat Feb 13 13:59:38 CET 2010






	
	
	
	
	
	
	




Dear Wien2k users
I
would like to calculate the magneto optical  properties of  a 
non-centrosymmetric compound,
therefore I have arranged the case.inop file as follows,

99999
1       number of k-points, first k-point 

-5.0
2.2      Emin, Emax for matrix elements
3
            number of choices (columns in *outmat) - 0: MME into
case.mme
1
            Re xx
3
            Re zz
7
            Im xy
ON
          ON/OFF   writes MME to unit 4



Choices:
1......Re
<x><x>
2......Re
<y><y>
3......Re
<z><z>
4......Re
<x><y>
5......Re
<x><z>
6......Re
<y><z>
7......Im
<x><y>
8......Im
<x><z>
9......Im
<y><z>

So
I have got  the   perpendicular and parallel   component of diagonal
optical conductivity 
sigma : sigma xx  and sigma zz

and
 only  the off diagonal component sigma xy, my question is how to
have  the two off-diagonal 
perpendicular and parallel components 
of sigma
thank
in advance 

Tarik




 		 	   		  
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