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<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal;">Dear Akash,</div>
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<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal;">Decreasing beta_mix from default value of 0.7 may solve your problem.</div>
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<div style="font-family: Tahoma; color: rgb(0, 0, 0); font-size: 16px; font-weight: 400; font-style: normal;">Mahmoud Payami</div>
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<div style="font-family: Tahoma; color: rgb(0, 0, 0); font-size: 16px; font-weight: 400; font-style: normal;">NSTRI, AEOI, Tehran, Iran</div>
<div style="font-family: Tahoma; color: rgb(0, 0, 0); font-size: 16px; font-weight: 400; font-style: normal;">Email: mpayami@aeoi.org.ir</div>
<div style="font-family: Tahoma; color: rgb(0, 0, 0); font-size: 16px; font-weight: 400; font-style: normal;">Phone: +98 (0)21 82066504</div>
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<blockquote class="as91pFk8AX8sDPOUp66RUy8IoCRjefxNG8oLk8fg" style="PADDING-RIGHT: 0px; PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #000000 2px solid; MARGIN-RIGHT: 0px">From: Akash Saxena <aksh8678@gmail.com><br />
To: users@lists.quantum-espresso.org<br />
Date: Thu, 21 Oct 2021 22:09:32 +0530<br />
Subject: [QE-users] Calculation error Quantum Espresso 6.7<br />
<div dir="ltr">Dear User,
<div> </div>
<div>I am performing a relaxed calculation for my system of bilayer graphene consisting of 48 atoms. But, my calculation halts after 2 SCF steps stating the error that </div>
<div> </div>
<div> energy_new > energy_old</div>
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<div>Please let me know why this error could have been generated and what should I do to correct this? </div>
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<div>Regards.</div>
<div>Akash</div>
<div>Savitri Bai Phule Pune University</div>
<div>Lucknow, India. </div>
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