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<p style="margin-bottom: 0cm;">Dear Wien2k users</p>
<p style="margin-bottom: 0cm;" lang="en-US"><a name="result_box"></a><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">I
would like to calculate the magneto optical properties of a
<span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">non-centrosymmetric </span>compound,</span></p><p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">
therefore I have arranged the case.inop file as follows,<br><br>99999
1 number of k-points, first k-point </span>
</p>
<p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">-5.0
2.2 Emin, Emax for matrix elements</span></p>
<p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">3
number of choices (columns in *outmat) - 0: MME into
case.mme</span></p>
<p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">1
Re xx</span></p>
<p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">3
Re zz</span></p>
<p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">7
Im xy</span></p>
<p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">ON
ON/OFF writes MME to unit 4</span></p>
<p style="margin-bottom: 0cm;" lang="en-US"><br>
</p>
<p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">Choices:</span></p>
<p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">1......Re
<x><x></span></p>
<p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">2......Re
<y><y></span></p>
<p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">3......Re
<z><z></span></p>
<p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">4......Re
<x><y></span></p>
<p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">5......Re
<x><z></span></p>
<p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">6......Re
<y><z></span></p>
<p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">7......Im
<x><y></span></p>
<p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">8......Im
<x><z></span></p>
<p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">9......Im
<y><z></span></p>
<p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;"><br>So
I have got the perpendicular and parallel component of diagonal
optical conductivity <br></span></p><p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">sigma : sigma xx and sigma zz</span></p>
<p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;"><br>and
only the off diagonal component sigma xy, my question is how to
have the two off-diagonal <br></span></p><p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">perpendicular and parallel components
of sigma</span></p>
<p style="margin-bottom: 0cm;" lang="en-US"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">thank
in advance </span>
</p>
<p style="margin-bottom: 0cm;"><span style="background: rgb(255, 255, 255) none repeat scroll 0%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial;">Tarik</span></p>
<p style="margin-bottom: 0cm;"><br>
</p>
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