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<div class="moz-cite-prefix">Change third line<br>
<br>
48 48 72 1.0 1<br>
<br>
to <br>
<br>
0 0 0 2.0 1<br>
<br>
or change IFFT-factor to 3<br>
<br>
48 48 72 3.0 1<br>
<br>
On 5/26/2013 7:27 AM, Muhammad Sajjad wrote:<br>
</div>
<blockquote
cite="mid:CA+9d70VVR_YkQ-jWZ28Ko6T6fhXdFnmQg-tv6vLx95CZVhSaJA@mail.gmail.com"
type="cite">Dear Gavin
<div>Thank you for your guidance. I am sorry to say that I can not
find the relative solution or might be I am following your
instruction in wrong way. I am displaying the data that OPT.in0
contains in my case</div>
<div><br>
</div>
<div>
<div><b>TOT 11 (5:LDA, 13:PBE, 11:WC, 19:PBEsol, 28:mBJ,
29:revTPSS, 46:HTBS)</b></div>
<div><b>NR2V IFFT (R2V)</b></div>
<div><b> 48 48 72 1.00 1 min IFFT-parameters,
enhancement factor, iprint</b></div>
</div>
<div>
<div class="gmail_quote">
<div><br>
</div>
<div>According to the link <a moz-do-not-send="true"
href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-April/016784.html"
target="_blank">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-April/016784.html</a> </div>
<div>how should I change this file.</div>
<div>With Regards</div>
<div>M. SAJJAD <br>
</div>
</div>
</div>
</blockquote>
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