<div dir="ltr"><div dir="ltr" style="font-size:12.8px"><div><div><div>Dear Experts,<br><br>I am a beginner in Quantum Espresso and wish to perform these three calculations for Silicon: <br><br></div>(i) keep cell size fixed at 5.43 Angstroms and let ions move from a  displaced arrangement: should recover fcc positions<br></div>(ii) keep fcc positions fixed and let cell size vary: should recover cell size of 5.43 Angstroms<br></div>(iii) vary both positions and cell size: should recover fcc + 5.43 Angstroms.<br><span style="font-size:12.8px"><br>I would be grateful if you could help me.<br><br></span></div><div style="font-size:12.8px"><span style="font-size:12.8px">Regards,<br></span></div><div style="font-size:12.8px"><span style="font-size:12.8px">Dosowie Rajiv<br></span></div><div style="font-size:12.8px"><span style="font-size:12.8px">Undergraduate student at the University of Mauritius<br></span></div><div><br></div><div id="m_7818237488246151858m_-6832876039877383474DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2"><br>
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