https://vasp.at/wiki/index.php?action=history&feed=atom&title=LEXCH 2026-04-10T08:35:43Z Revision history for this page on the wiki MediaWiki 1.40.1 https://vasp.at/wiki/index.php?title=LEXCH&diff=25130&oldid=prev 2024-06-12T12:11:03Z

<p>transferability is well -&gt; transferability is good</p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="en"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 12:11, 12 June 2024</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l5">Line 5:</td> <td colspan="2" class="diff-lineno">Line 5:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Definition: Set the default exchange-correlation functional.</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Definition: Set the default exchange-correlation functional.</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>-----</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>-----</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>The functional specified by {{TAG|LEXCH}} was used as a reference when the PAW potential was created. The transferability of PAW potentials to other [[exchange-correlation functionals]] is quite <del style="font-weight: bold; text-decoration: none;">well</del>. So, the functional used during the calculation can be freely adjusted (despite the very prominent warning in the stdout).</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>The functional specified by {{TAG|LEXCH}} was used as a reference when the PAW potential was created. The transferability of PAW potentials to other [[exchange-correlation functionals]] is quite <ins style="font-weight: bold; text-decoration: none;">good</ins>. So, the functional used during the calculation can be freely adjusted (despite the very prominent warning in the stdout).</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>== Related tags and articles ==</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>== Related tags and articles ==</div></td></tr> </table>

Wolloch https://vasp.at/wiki/index.php?title=LEXCH&diff=23829&oldid=prev 2024-02-08T10:39:10Z

<p>Created page with &quot;{{TAGDEF|LEXCH|[string]}} {{TAGDEF|LEXCH|CA.OR.PBE}} {{DEF| LEXCH |CA|for LDA <a href="/wiki/Pseudopotentials" class="mw-redirect" title="Pseudopotentials">pseudopotentials</a>|PE|for GGA <a href="/wiki/Pseudopotentials" class="mw-redirect" title="Pseudopotentials">pseudopotentials</a>}} Definition: Set the default exchange-correlation functional. ----- The functional specified by {{TAG|LEXCH}} was used as a reference when the PAW potential was created. The transferability of PAW potentials to other <a href="/wiki/Exchange-correlation_functionals" class="mw-redirect" title="Exchange-correlation functionals">exchange-correlation functionals</a> is quite well. So, the functional used during the calculation can be freely adjusted (de...&quot;</p> <p><b>New page</b></p><div>{{TAGDEF|LEXCH|[string]}}<br /> {{TAGDEF|LEXCH|CA.OR.PBE}}<br /> {{DEF| LEXCH |CA|for LDA [[pseudopotentials]]|PE|for GGA [[pseudopotentials]]}}<br /> <br /> Definition: Set the default exchange-correlation functional.<br /> -----<br /> The functional specified by {{TAG|LEXCH}} was used as a reference when the PAW potential was created. The transferability of PAW potentials to other [[exchange-correlation functionals]] is quite well. So, the functional used during the calculation can be freely adjusted (despite the very prominent warning in the stdout).<br /> <br /> == Related tags and articles ==<br /> [[Exchange-correlation functionals]], {{TAG|XC}}, {{TAG|XC_C}} {{TAG|GGA}}, {{TAG|METAGGA}}, {{FILE|POTCAR}}, [[pseudopotentials]]<br /> <br /> [[Category:Exchange-correlation functionals]][[Category:POTCAR tag]]</div>

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