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Dear WIEN2k community,</div>
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I have Fedora 42 and I installed intel oneAPI 2025.2.1</div>
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And compiled the WIEN2k 24.1 and it works almost right, but I have problems;</div>
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After edditing the case.struct file with StructGen I push "save", then I get the option of setting the RMT with;</div>
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<b><a data-auth="NotApplicable" class="x_OWAAutoLink" id="OWA62e8fb77-2f20-e9e9-9e7b-7da07713fed5" href="http://localhost:7890/util/structrmt.pl?SID=899042">set automatically RMT and continue editing</a></b></div>
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but the RMT remains the same "RMT=2.000" => 2.000 </div>
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so it does not find the correct RMT</div>
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Another problem;</div>
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When I open xcrysden in the terminal and I try to </div>
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"Open WIEN2k Struct file"</div>
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and I point to "case.struct" file it opens the crystal structure, but if I point to another file, like "case.in0" or any other, it does not display the crystal structure and I get the message</div>
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Error: error renaming "case.in0": no such file or di...</div>
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Saludos</div>
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Pablo</div>
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