<div dir="ltr">Thank you veru much Dear Gavin</div><div class="gmail_extra"><br><div class="gmail_quote">On Mon, Sep 7, 2015 at 11:25 AM, Gavin Abo <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
  
    
  
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    <div>Yes<span class=""><br>
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      On 9/7/2015 1:55 AM, Muhammad Sajjad wrote:<br>
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      <div dir="ltr">Dear Gavin
        <div>Bundle of thanks for such a helping reply. Are the
          case.inorb and case.indm files are ok now for B-ext applied at
          32 degree angle with x-axis?</div>
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              <pre style="white-space:pre-wrap;font-family:courier,'courier new',monospace;font-size:14px;word-wrap:break-word;margin-top:0px;margin-bottom:0px;line-height:19.6000003814697px"><span style="background-color:rgb(255,255,255)"><font color="#274e13">================== case.inorb =====================
  3  <font>2</font>  0                     nmod, natorb, ipr
PRATT  1.0                    BROYD/PRATT, mixing
  1 1 2                       iatom nlorb, lorb</font></span></pre>
              <pre style="white-space:pre-wrap;font-family:courier,'courier new',monospace;font-size:14px;word-wrap:break-word;margin-top:0px;margin-bottom:0px;line-height:19.6000003814697px"><pre style="white-space:pre-wrap;font-family:courier,'courier new',monospace;word-wrap:break-word;margin-top:0px;margin-bottom:0px;line-height:19.6000003814697px"><span style="background-color:rgb(255,255,255)"><font color="#274e13">  2 1 2                       iatom nlorb, lorb</font></span></pre><span style="background-color:rgb(255,255,255)"><font color="#274e13">  8.                          Bext
  1. 0.62487 0.                    direction
==============================================

================== case.indm =====================
-9.                      Emin cutoff energy
 2                       number of atoms for which density matrix is calculated
 1  1  2      index of 1st atom, number of L's, L1</font></span></pre>
              <pre style="white-space:pre-wrap;font-family:courier,'courier new',monospace;font-size:14px;word-wrap:break-word;margin-top:0px;margin-bottom:0px;line-height:19.6000003814697px"><pre style="white-space:pre-wrap;font-family:courier,'courier new',monospace;word-wrap:break-word;margin-top:0px;margin-bottom:0px;line-height:19.6000003814697px"><span style="background-color:rgb(255,255,255)"><font color="#274e13"> 2  1  2      dtto for 2nd atom, repeat NATOM times</font></span></pre><span style="background-color:rgb(255,255,255)"><font color="#274e13"> 0  0         r-index, (l,s)index
=============================================</font><font color="#444444">=</font></span></pre>
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<br></blockquote></div><br><br clear="all"><div><br></div>-- <br><div class="gmail_signature"><div dir="ltr"><div>Kind Regards</div><div>Muhammad Sajjad </div><div>Post Doctoral Fellow</div><div>KAUST, KSA.</div></div></div>
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