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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="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><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 08:00 a. m.<br>
<b>Para:</b> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at><br>
<b>Asunto:</b> [Wien] Rhombhohedral coordinates needed in simulation of LiNiO2</font>
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<div>Dear Wien2k users,</div>
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<div> 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>" positions must be specified in rhombohedral coordinates!"</div>
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<div>Please guide.</div>
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<div>with regards,<br>
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<span class="x_gmail_signature_prefix">-- </span><br>
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<div style="font-size:small">Dr. Shamik Chakrabarti</div>
<div style="font-size:small">Research Fellow </div>
<div style="font-size:small">Department of Physics</div>
<div style="font-size:small">Indian Institute of Technology Patna</div>
<div style="font-size:small">Bihta-801103</div>
<div style="font-size:small">Patna</div>
<div style="font-size:small">Bihar, India</div>
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