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<h2>1st Order and 2nd Order Multivariable Optimizations of DFT</h2>
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<time datetime="Fri Feb 09 2024 18:00:00 GMT-0600 (Central Standard Time)">February 10, 2024</time>
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<p>Testing</p>

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2 changes: 1 addition & 1 deletion posts/force-correction-tutorial/index.html
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Expand Up @@ -57,7 +57,7 @@ <h2>VASP Force Correction Patch: Tutorial</h2>
<time datetime="Fri Jun 16 2023 19:00:00 GMT-0500 (Central Daylight Time)">June 17, 2023</time>
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<p>In this post, I'll explain how to use the constrained forces method in VASP to simulate constant electric field using the <a href="https://github.com/seongjoojung/VASP-force-correction-patch">force correction patch</a> from my github. Explanation on the background of this method can be found in my <a href="https://chemrxiv.org/engage/chemrxiv/article-details/63fd7308897b18336f3a59aa">recent manuscript</a>.</p>
<p>First, you need to calculate the Born effective charge tensor of your non-polar structure. For example, the non-polar structure of lead titanate would have following <code>CONTCAR:</code> (space group 123, P4/mmm)</p>
<p>First, you need to calculate the Born effective charge tensor of your non-polar structure. For example, the non-polar structure of lead titanate would have following <code>CONTCAR:</code> (space group #123, P4/mmm)</p>
<pre>
<code>PbTiO3
1.00000000000000
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