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<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: none 0% 0% / auto repeat scroll padding-box border-box rgba(0, 0, 0, 0);">Dear QE Developers,</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: none 0% 0% / auto repeat scroll padding-box border-box rgba(0, 0, 0, 0);"> </div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: none 0% 0% / auto repeat scroll padding-box border-box rgba(0, 0, 0, 0);">Hi.</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: none 0% 0% / auto repeat scroll padding-box border-box rgba(0, 0, 0, 0);">Kindly, when I use the same scf input for QE-6.7MaX and QE-7.1, the results of forces on atoms are more or less similar but with a small difference. However, the calculated pressures are SIGNIFICANTLY_DIFFERENT. </div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: none 0% 0% / auto repeat scroll padding-box border-box rgba(0, 0, 0, 0);">Secondly, when the number of atoms is of order say 50, the calculation of forces on atoms using QE-7.1 is VERY VERY time consuming. </div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: none 0% 0% / auto repeat scroll padding-box border-box rgba(0, 0, 0, 0);">In the release note of QE7.1 one feature mentioned is an "automatic" optimizations for accelerating the calculations.</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: none 0% 0% / auto repeat scroll padding-box border-box rgba(0, 0, 0, 0);">Could it happen that in some cases instead of optimizations one encounters with deceleration?</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: none 0% 0% / auto repeat scroll padding-box border-box rgba(0, 0, 0, 0);">How can one disable this automatic optimization?</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: none 0% 0% / auto repeat scroll padding-box border-box rgba(0, 0, 0, 0);">Thank you in advance.</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: none 0% 0% / auto repeat scroll padding-box border-box rgba(0, 0, 0, 0);"> </div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: none 0% 0% / auto repeat scroll padding-box border-box rgba(0, 0, 0, 0);">With Best Regards,</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: none 0% 0% / auto repeat scroll padding-box border-box rgba(0, 0, 0, 0);">Mahmoud Payami</div>
<div style="font-size: 16px; font-family: Tahoma; color: rgb(0, 0, 0); font-weight: 400; font-style: normal; background: none 0% 0% / auto repeat scroll padding-box border-box rgba(0, 0, 0, 0);">NSTRI, AEOI, Tehran, Iran</div>
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<div style="font-family: Tahoma; color: rgb(0, 0, 0); font-size: 16px; font-weight: 400; font-style: normal;"> </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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