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<div>Hi, </div>
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<div>Are you using the latest version of the code? </div>
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<div>Jianxin</div>
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<span style="font-weight:bold">From: </span>Swetarekha Ram <<a href="mailto:swetarekharam@gmail.com">swetarekharam@gmail.com</a>><br>
<span style="font-weight:bold">Reply-To: </span>A Mailing list for WIEN2k users <<a href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>><br>
<span style="font-weight:bold">Date: </span>Sun, 19 Aug 2012 19:26:07 +0530<br>
<span style="font-weight:bold">To: </span><<a href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>><br>
<span style="font-weight:bold">Subject: </span>[Wien] reg: dHvA affect<br>
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<blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
Dear WIEN2k users,<br>
</blockquote>
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<blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
<br>
I am trying to use the SKEAF programme to calculate the de Haas–van Alphen<br>
frequencies from the band energy. I tried to explore the dHvA frequency. But I have<br>
some doubt. <br>
<br>
My system is cubic system.<br>
<br>
What actually I did:<br>
<br>
1.Reading data from the bxsf file.<br>
<br>
2. Number of interpolated k-points per single new cell side : 100<br>
<br>
3. H-vector: a<br>
<br>
4. Minimum allowed extremal Fermi surface : 0 (to allow all extremal frequencies)<br>
<br>
5. set the parameters used for determining which orbits are multiple copies of one another and<br>
therefore should be averaged together: 0.01 (for default = 1%)<br>
<br>
6. Maximum distance (fraction of RUC side length) between average coordinates for orbit averaging:<br>
0.05 for default = 5% of RUC side lengths<br>
<br>
7. Allow extremal orbits located near super-cell walls: n (no)<br>
<br>
After this I got the output as below :<br>
But I did not understand why it is repeating the results, and what is my actual<br>
frequency ?<br>
</blockquote>
<div>Theta(deg),Phi(deg),Freq(kT),mstar(me),Curv(kTA2),Type(+e-h),NumOrbCopy<br>
0.000000, 90.000000, 8.106024E-02, 2.695113E-01, 2.948198E+01,-1.000, 48<br>
0.000000, 90.000000, 8.106024E-02, 2.695113E-01, 2.948198E+01,-1.000, 48<br>
0.000000, 90.000000, 8.106024E-02, 2.695113E-01, 2.948198E+01,-1.000, 48<br>
0.000000, 90.000000, 8.106024E-02, 2.695113E-01, 2.948198E+01,-1.000, 48<br>
0.000000, 90.000000, 8.106024E-02, 2.695113E-01, 2.948198E+01,-1.000, 48<br>
0.000000, 90.000000, 8.106024E-02, 2.695113E-01, 2.948198E+01,-1.000, 48<br>
0.000000, 90.000000, 8.106024E-02, 2.695113E-01, 2.948198E+01,-1.000, 48<br>
0.000000, 90.000000, 8.106024E-02, 2.695113E-01, 2.948198E+01,-1.000, 48<br>
0.000000, 90.000000, 4.482265E-01, 2.110453E-01, 2.391982E+01, 1.000, 36<br>
0.000000, 90.000000, 4.482265E-01, 2.110453E-01, 2.391982E+01, 1.000, 36<br>
0.000000, 90.000000, 4.482265E-01, 2.110453E-01, 2.391982E+01, 1.000, 36<br>
0.000000, 90.000000, 4.482265E-01, 2.110453E-01, 2.391982E+01, 1.000, 36<br>
0.000000, 90.000000, 4.482265E-01, 2.110453E-01, 2.391982E+01, 1.000, 36<br>
0.000000, 90.000000, 4.482265E-01, 2.110453E-01, 2.391982E+01, 1.000, 36<br>
0.000000, 90.000000, 4.482265E-01, 2.110453E-01, 2.391982E+01, 1.000, 36<br>
0.000000, 90.000000, 4.482265E-01, 2.110453E-01, 2.391982E+01, 1.000, 36<br>
0.000000, 90.000000, 1.198341E+00, 2.021696E-01, 3.241156E+01, 1.000, 36<br>
0.000000, 90.000000, 2.711308E+00, 5.360993E-01, 3.452623E+00,-1.000, 36<br>
0.000000, 90.000000, 2.819064E+00, 9.334585E-01, 5.781226E+02, 1.000, 12<br>
0.000000, 90.000000, 3.196647E+00, 4.017080E-01, -8.835686E+01, 1.000, 27<br>
0.000000, 90.000000, 5.510299E+00, 7.560004E-01, 6.851951E+02,-1.000, 12<br>
0.000000, 90.000000, 6.176008E+00, 5.662643E-01, 1.599401E+02,-1.000, 27
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Can any one explain more details about this ?<br>
Previously I sent the same but I did not get any reply still.<br>
This time I am expecting some response.<br>
<br>
Thanking you<span><font color="#888888"><br clear="all">
</font></span><br clear="all">
<br>
-- <br>
Swetarekha Ram,<br>
Research Scholar,<br>
<br>
<br>
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http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a> </blockquote>
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