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<p>Hello Pablo,</p>
<p><br>
</p>
<p>I have ran the TiC example on Fedora 42 in WIEN2k 24.1. In step
19 for [1], I had my RMTs for Ti and C initially set to 2.0000.
In step 22, I used "Reduce RMTS by 3 %". In step 23, you should
see it worked and actualized the RMT 2.17 for Ti and 1.77 for C.
Is it the TiC example you experienced this issue with?</p>
<p><br>
</p>
<p>Of note, when I installed the Intel OneAPI, it installed a newer
version 2025.3.0 instead of 2025.2.1. The install steps I used
should it help other Fedora users should be at [2].</p>
<p><br>
</p>
<p>Though, I do I see that the Fedora website [3] has Fedora 43. Is
there any reasons why you are using Fedora 42 instead of 43?</p>
<p><br>
</p>
<p>The Al.in0 doesn't appear to be a struct file as it doesn't have
the .struct file extension (i.e., Al.struct). I was able to open
more than one struct file (TiC.struct and gaas.struct) when
running XCrySDen 1.6.2 from a terminal just fine as you should see
at [4].</p>
<p><br>
</p>
<p>[1]
<a class="moz-txt-link-freetext" href="https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k24.1%20TiC%20Example(Fedora-ifx).pdf">https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k24.1%20TiC%20Example(Fedora-ifx).pdf</a></p>
<p>[2]
<a class="moz-txt-link-freetext" href="https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k24.1_Fedora_Install_with_OneAPI(ifx2025.3.0).pdf">https://github.com/gsabo/WIEN2k-Docs/blob/main/WIEN2k24.1_Fedora_Install_with_OneAPI(ifx2025.3.0).pdf</a></p>
<p>[3] <a class="moz-txt-link-freetext" href="https://www.fedoraproject.org/workstation/download">https://www.fedoraproject.org/workstation/download</a></p>
<p>[4]
<a class="moz-txt-link-freetext" href="https://github.com/gsabo/xcrysden-Patches/blob/main/fedora42-multiple-struct-files.png">https://github.com/gsabo/xcrysden-Patches/blob/main/fedora42-multiple-struct-files.png</a></p>
<p><br>
</p>
<p>Kind Regards,</p>
<p>Gavin</p>
<p>WIEN2k user</p>
<p><br>
</p>
<div class="moz-cite-prefix">On 11/5/2025 11:51 AM, delamora wrote:<br>
</div>
<blockquote type="cite"
cite="mid:BY5PR06MB6676D887BA7AE0FAE8B5CEE5CBC5A@BY5PR06MB6676.namprd06.prod.outlook.com">
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8">
<style type="text/css" style="display:none;">P {margin-top:0;margin-bottom:0;}</style>
<div
style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"
class="elementToProof">
Dear WIEN2k community,</div>
<div
style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"
class="elementToProof">
I have Fedora 42 and I installed the WIEN2k 24.1 and intel
Oneapi 2025.2.1</div>
<div
style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"
class="elementToProof">
When I try to</div>
<div
style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"
class="elementToProof">
<b><a class="OWAAutoLink"
id="OWA5eef1942-578a-2872-1701-5585ade48269"
href="http://localhost:7890/util/structrmt.pl?SID=899042"
moz-do-not-send="true">set automatically RMT and continue
editing</a></b></div>
<div
style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"
class="elementToProof">
it does not work, it does not actualize the RMT in the struct
file</div>
<div
style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"
class="elementToProof">
<br>
</div>
<div
style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"
class="elementToProof">
When I open xcrysden in the terminal and I try to </div>
<div
style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"
class="elementToProof">
"Open WIEN2k Struct file"</div>
<div
style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"
class="elementToProof">
and I point to "Al.struct" file it opens the figure, but if I
point to another one, like "Al.in0" I get the message</div>
<div
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class="elementToProof">
Error:error renaming "Al.in0": no such file or di...</div>
<div
style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"
class="elementToProof">
<br>
</div>
<div
style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"
class="elementToProof">
Saludos</div>
<div
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class="elementToProof">
<br>
</div>
<div
style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);"
class="elementToProof">
Pablo</div>
</blockquote>
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