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<div class="elementToProof">Dear WIEN2k users;</div>
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<div class="elementToProof">Now I have Linux Fedora 40 and I cannot use xcrysden 1.5</div>
<div class="elementToProof">When I try to load the required packages;</div>
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<div style="direction: ltr;" class="elementToProof">dnf install tk libglu1-mesa libtogl2 libfftw3-3 libxmu6 imagemagick openbabel libgfortran5</div>
<div style="direction: ltr;" class="elementToProof">Última comprobación de caducidad de metadatos hecha hace 0:05:30, el lun 02 sep 2024 09:38:00.</div>
<div style="direction: ltr;" class="elementToProof">El paquete tk-1:8.6.13-3.fc40.x86_64 ya está instalado.</div>
<div style="direction: ltr;" class="elementToProof">No hay coincidencias para el argumento: libglu1-mesa</div>
<div style="direction: ltr;" class="elementToProof">No hay coincidencias para el argumento: libtogl2</div>
<div style="direction: ltr;" class="elementToProof">No hay coincidencias para el argumento: libfftw3-3</div>
<div style="direction: ltr;" class="elementToProof">No hay coincidencias para el argumento: libxmu6</div>
<div style="direction: ltr;" class="elementToProof">No hay coincidencias para el argumento: imagemagick</div>
<div style="direction: ltr;" class="elementToProof"> * Tal vez quiso decir: ImageMagick</div>
<div style="direction: ltr;" class="elementToProof">No hay coincidencias para el argumento: libgfortran5</div>
<div style="direction: ltr;" class="elementToProof">Error: No se pudo encontrar ningún resultado: libglu1-mesa libtogl2 libfftw3-3 libxmu6 imagemagick libgfortran5</div>
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<div style="direction: ltr;" class="elementToProof">There were no results for</div>
<div style="direction: ltr;" class="elementToProof">libglu1-mesa libtogl2 libfftw3-3 libxmu6 imagemagick libgfortran5</div>
<div style="direction: ltr;" class="elementToProof">but</div>
<div style="direction: ltr;" class="elementToProof">ImageMagick</div>
<div style="direction: ltr;" class="elementToProof">is already installed.</div>
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<div style="direction: ltr;" class="elementToProof">So I cannot use xcrysden</div>
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<div style="direction: ltr;" class="elementToProof">Saludos</div>
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<div style="direction: ltr;" class="elementToProof">Pablo<br>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>De:</b> delamora <delamora@unam.mx><br>
<b>Enviado:</b> domingo, 28 de abril de 2024 08:48 a. m.<br>
<b>Para:</b> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at><br>
<b>Asunto:</b> Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2</font>
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hx is hexagonal x</div>
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<div id="x_divRplyFwdMsg" dir="ltr"><span style="font-family:Calibri,sans-serif; font-size:11pt; color:rgb(0,0,0)"><b>De:</b> Wien <wien-bounces@zeus.theochem.tuwien.ac.at> en nombre de shamik chakrabarti <shamik15041981@gmail.com><br>
<b>Enviado:</b> domingo, 28 de abril de 2024 08:40 a. m.<br>
<b>Para:</b> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at><br>
<b>Asunto:</b> Re: [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2</span>
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<div style="direction:ltr">It is asking for specifying hx,hy,hz....what are these?</div>
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<div style="direction:ltr">On Sun, 28 Apr 2024 at 20:06, delamora <<a href="mailto:delamora@unam.mx" id="OWA6da18385-f6e9-7628-f1c1-296d82c6a9d9" class="x_OWAAutoLink" data-loopstyle="linkonly">delamora@unam.mx</a>> wrote:</div>
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Use the command;</div>
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hex2rhomb</div>
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hexagonal to rhombohedral</div>
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<div id="x_x_m_1467424865670214106divRplyFwdMsg" dir="ltr"><span style="font-family:Calibri,sans-serif; font-size:11pt; color:rgb(0,0,0)"><b>De:</b> Wien <<a href="mailto:wien-bounces@zeus.theochem.tuwien.ac.at" id="OWA3a5ae0cf-3e45-75b9-7db2-6742c487ae39" class="x_OWAAutoLink" data-loopstyle="linkonly">wien-bounces@zeus.theochem.tuwien.ac.at</a>>
en nombre de shamik chakrabarti <<a href="mailto:shamik15041981@gmail.com" id="OWA8bd5cd27-d31b-7d69-3a65-52a13f1ac5b8" class="x_OWAAutoLink" data-loopstyle="linkonly">shamik15041981@gmail.com</a>><br>
<b>Enviado:</b> domingo, 28 de abril de 2024 08:00 a. m.<br>
<b>Para:</b> A Mailing list for WIEN2k users <<a href="mailto:wien@zeus.theochem.tuwien.ac.at" id="OWA4bf4bd21-eea2-4ac1-cce4-e0c84fa2d44a" class="x_OWAAutoLink" data-loopstyle="linkonly">wien@zeus.theochem.tuwien.ac.at</a>><br>
<b>Asunto:</b> [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2</span>
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<div style="direction:ltr">Dear Wien2k users,</div>
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</div>
<div style="direction:ltr"> I want to simulate properties of LiNiO2. However, adopting the structure (file attached) by bringing it into rhombohedral axis in Vesta, when I copy the cif file into the working directory & converting it into a struct
file, after save structure, it complains about </div>
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<div style="direction:ltr">" positions must be specified in rhombohedral coordinates!"</div>
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<div style="direction:ltr">Please guide.</div>
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<div style="direction:ltr">with regards,</div>
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<div style="direction:ltr; font-size:9.75pt">Dr. Shamik Chakrabarti</div>
<div style="direction:ltr; font-size:9.75pt">Research Fellow </div>
<div style="direction:ltr; font-size:9.75pt">Department of Physics</div>
<div style="direction:ltr; font-size:9.75pt">Indian Institute of Technology Patna</div>
<div style="direction:ltr; font-size:9.75pt">Bihta-801103</div>
<div style="direction:ltr; font-size:9.75pt">Patna</div>
<div style="direction:ltr; font-size:9.75pt">Bihar, India</div>
_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" id="OWAd678c754-f461-f2b6-6310-096dca9f0600" class="x_OWAAutoLink" data-loopstyle="linkonly">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" id="OWA6fa7b9b2-b825-bcf4-02bf-562262fbabb4" class="x_OWAAutoLink" data-auth="NotApplicable" data-loopstyle="linkonly">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>
SEARCH the MAILING-LIST at: <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" id="OWA0a655d15-bf81-0eee-0c20-dd3375c73cb6" class="x_OWAAutoLink" data-auth="NotApplicable" data-loopstyle="linkonly">
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>
</blockquote>
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<br>
--<br>
<div style="direction:ltr; font-size:9.75pt">Dr. Shamik Chakrabarti</div>
<div style="direction:ltr; font-size:9.75pt">Research Fellow </div>
<div style="direction:ltr; font-size:9.75pt">Department of Physics</div>
<div style="direction:ltr; font-size:9.75pt">Indian Institute of Technology Patna</div>
<div style="direction:ltr; font-size:9.75pt">Bihta-801103</div>
<div style="direction:ltr; font-size:9.75pt">Patna</div>
<div style="direction:ltr; font-size:9.75pt">Bihar, India</div>
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