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<div class="elementToProof"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">Need help in understanding </span></div>
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<span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">I am currently working on Co3O4 structure,from literature it is very evident that it belongs to space group Fd3m(cubic
fcc).</span></li><li style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0); list-style-type: "(b) ";">
<div class="elementToProof" style="margin: 0px;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">I have referred to Co3O4 Fd3m cubic structure from materials project
it is represented as simple cubic structure but Fd3m space group refers to cubic fcc.</span></div>
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<div class="elementToProof" style="margin: 0px;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">As it is simple cubic ibrav =1,when i change ibrav =2(cubic fcc)
i am getting warning message </span></div>
<div class="elementToProof" style="margin: 0px;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">"WARNING: Atom 381 and atom 444 are very close !!! Atom 444 deleted
!!!"</span></div>
<div class="elementToProof" style="margin: 0px;"><span style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);">ATOMIC_POSITIONS (angstrom)</span></div>
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I would like to know how to change the structure from simple cubic to fcc cubic</div>
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chandrika yadav k </div>
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