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<p>According to the user's guide, at the 5th line of abc.inkram a value for each column in abc.injoint should be provided. Two values are probably not enough because the code fails when it reads this 5th line.<br>
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<div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" face="Calibri, sans-serif" color="#000000"><b>From:</b> Wien <wien-bounces@zeus.theochem.tuwien.ac.at> on behalf of Chukwuemeka Okoye <cmi.okoye@unn.edu.ng><br>
<b>Sent:</b> Sunday, August 9, 2020 11:36 AM<br>
<b>To:</b> A Mailing list for WIEN2k users<br>
<b>Subject:</b> Re: [Wien] Calculating x kram with intra-band contribution</font>
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<div>Hi,</div>
<div>Please, here is abc.inkram:</div>
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<div>0.1 Gamma: broadening of interband spectrum<br>
0.0 energy shift (scissors operator)<br>
1 add intraband contributions? yes/no: 1/0<br>
4.149 plasma frequencies (from joint, opt 6)<br>
0.20 0.2 Gammas for Drude terms <br>
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<div>CMI Okoye<br>
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<div><i>------------------------------<br>
Chukwuemeka M I <b>Okoye</b><br>
</i></div>
<i>Department of Physics and Astronomy,<br>
</i></div>
<i>University of Nigeria, <br>
</i></div>
<i>Nsukka, Enugu State,<br>
</i></div>
<i>Nigeria</i><br>
<div>Telephone: +234 7038766990<br>
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<div>E-mail: <a href="mailto:cmi.okoye@unn.edu.ng" target="_blank">cmi.okoye@unn.edu.ng</a><br>
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<div dir="ltr" class="gmail_attr">On Sun, Aug 9, 2020 at 10:21 AM Tran, Fabien <<a href="mailto:fabien.tran@tuwien.ac.at">fabien.tran@tuwien.ac.at</a>> wrote:<br>
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<p>The error message indicates that there is a problem with your input file <span style="color:rgb(33,33,33)">abc.inkram</span><span style="color:rgb(33,33,33)">. Show us this file.</span></p>
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<div id="gmail-m_4197037711740853068divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" face="Calibri, sans-serif" color="#000000"><b>From:</b> Wien <<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at" target="_blank">wien-bounces@zeus.theochem.tuwien.ac.at</a>>
on behalf of Chukwuemeka Okoye <<a href="mailto:cmi.okoye@unn.edu.ng" target="_blank">cmi.okoye@unn.edu.ng</a>><br>
<b>Sent:</b> Sunday, August 9, 2020 11:05 AM<br>
<b>To:</b> A Mailing list for WIEN2k users<br>
<b>Subject:</b> Re: [Wien] Calculating x kram with intra-band contribution</font>
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<div>Hi, <br>
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<div>Please find the error on the screen:</div>
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<pre>xx
zz
Energy units: [eV]
Lorentzian broadening with gamma: 0.100000000000000 [eV]
3501 data points
ENERGY INCREMENT: 1.361000000000000E-002
forrtl: severe (59): list-directed I/O syntax error, unit 5, file /home/cmi/abc.inkram
Image PC Routine Line Source
kram 000000000040A2AB Unknown Unknown Unknown
kram 000000000042894B Unknown Unknown Unknown
kram 00000000004271B5 Unknown Unknown Unknown
kram 000000000040453C MAIN__ 179 kram.f
kram 0000000000403822 Unknown Unknown Unknown
<a href="http://libc-2.31.so" target="_blank">libc-2.31.so</a> 0000152C6750E0B3 __libc_start_main Unknown Unknown
kram 000000000040372E Unknown Unknown Unknown
0.017u 0.005s 0:00.21 4.7% 0+0k 5328+0io 20pf+0w
error: command /home/cmi/wien2k/2k18v2/kram kram.def failed<br><br></pre>
<pre>Thanks.<br></pre>
<pre>CMI Okoye<br></pre>
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<div><i>------------------------------<br>
Chukwuemeka M I <b>Okoye</b><br>
</i></div>
<i>Department of Physics and Astronomy,<br>
</i></div>
<i>University of Nigeria, <br>
</i></div>
<i>Nsukka, Enugu State,<br>
</i></div>
<i>Nigeria</i><br>
<div>Telephone: +234 7038766990<br>
</div>
<div>E-mail: <a href="mailto:cmi.okoye@unn.edu.ng" target="_blank">cmi.okoye@unn.edu.ng</a><br>
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<div dir="ltr" class="gmail_attr">On Sun, Aug 9, 2020 at 10:02 AM Tran, Fabien <<a href="mailto:fabien.tran@tuwien.ac.at" target="_blank">fabien.tran@tuwien.ac.at</a>> wrote:<br>
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<p style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px">Hi,<br>
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<p style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px">What is the error message (either on the screen or in kram.error)?<br>
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<font style="font-size:11pt" face="Calibri, sans-serif" color="#000000"><b>From:</b> Wien <<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at" target="_blank">wien-bounces@zeus.theochem.tuwien.ac.at</a>> on behalf of Chukwuemeka Okoye <<a href="mailto:cmi.okoye@unn.edu.ng" target="_blank">cmi.okoye@unn.edu.ng</a>><br>
<b>Sent:</b> Sunday, August 9, 2020 10:59 AM<br>
<b>To:</b> A Mailing list for WIEN2k users<br>
<b>Subject:</b> [Wien] Calculating x kram with intra-band contribution</font>
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<div>Dear all,</div>
<div>I am trying to calculate optical properties for a spin-polarized half-metal. x optic, x joint ( with both options 6 & 4 as specified) all ran smoothly. Without intra-band i.e 0 in line 3 of inkram, x kram executed smoothly also. However, when intra-band
contribution is added by using '1' as input in line 3 of inkram, x kram failed.</div>
<div>Please, I need assistance to overcome this.</div>
<div>Regards</div>
<div>CMI Okoye</div>
<i>------------------------------<br>
Chukwuemeka M I <b>Okoye</b><br>
</i></div>
<i>Department of Physics and Astronomy,<br>
</i></div>
<i>University of Nigeria, <br>
</i></div>
<i>Nsukka, Enugu State,<br>
</i></div>
<i>Nigeria</i><br>
<div>Telephone: +234 7038766990<br>
</div>
<div>E-mail: <a href="mailto:cmi.okoye@unn.edu.ng" target="_blank">cmi.okoye@unn.edu.ng</a><br>
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