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<div class="moz-cite-prefix">Yes<br>
<br>
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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