[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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