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<div class="moz-cite-prefix">It looks like it is reading the XMCD
line in case.inop just fine, because I see "XMCD selected for atom
1 L23" in the output below for "x optic".<br>
<br>
As it says in section "8.17 OPTIC (calculating optical
properties)" of the WIEN2k 14.2 usersguide on page 164, the matrix
elements for XMCD are written to case.symmat1up and
case.symmat2up.<br>
<br>
On 6/5/2015 3:01 AM, Santu Baidya wrote:<br>
</div>
<blockquote
cite="mid:CAFc+bv6_oDFpxrgm+u9zqxOmFxbv+Ka-9ajEJH8zEwGjvKnEAA@mail.gmail.com"
type="cite">
<div dir="ltr">Dear Prof. Blaha and wien2k users,
<div> I already wrote in my previous mails
regarding optic problem is solved. Now optic is running and
without xmcd option it gives me Re and Im matrix elements in
case.symmat* . However, optic program somehow is not reading
the XMCD line and not writing case.symmatup and case.summatdn
when I used the line " XMCD 1 L23". Here is the case.inop file
....</div>
<div><br>
</div>
<div>-----------------------------</div>
<div>
<div>99999 1</div>
<div>-6.0 5.2 84</div>
<div>XMCD 1 L23</div>
<div>2</div>
<div>1</div>
<div>7</div>
</div>
<div>------------------------------</div>
<div><br>
</div>
<div>Program ran well as you can see.....</div>
<div><br>
</div>
<div>
<div> emin,emax,nbvalmax -6.00000000000000
5.20000000000000 9999999</div>
<div> XMCD selected for atom 1 L23</div>
<div> LSO= T</div>
<div> OPTIC END</div>
<div>13.284u 0.128s 0:13.60 98.5%<span class=""
style="white-space:pre"> </span>0+0k 0+2632io 0pf+0w</div>
</div>
<div>-------------------------------------------</div>
<div><br>
</div>
<div>I would like to ask if anybody knows whether I need to
change somewhere in the program so that it reads XMCD line in
case.inop and writes output to case.symmatup/dn.</div>
<div><br>
</div>
<div>Thanks in advance.</div>
<div><br>
Santu Baidya</div>
</div>
</blockquote>
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