https://vasp.at/wiki/index.php?action=history&feed=atom&title=SDFTD3_XC 2026-04-17T07:03:56Z Revision history for this page on the wiki MediaWiki 1.43.8 https://vasp.at/wiki/index.php?title=SDFTD3_XC&diff=34411&oldid=prev 2026-03-04T13:41:43Z

<p></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 13:41, 4 March 2026</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l17">Line 17:</td> <td colspan="2" class="diff-lineno">Line 17:</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>{{TAG|METAGGA}},</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>{{TAG|METAGGA}},</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>{{TAG|XC}},</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>{{TAG|XC}},</div></td></tr> <tr><td colspan="2" class="diff-side-deleted"></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><ins style="font-weight: bold; text-decoration: none;">{{TAG|DFTD4_XC}},</ins></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>[[simple-DFT-D3]]</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>[[simple-DFT-D3]]</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> <!-- diff cache key mediawiki-vw:diff:1.41:old-34366:rev-34411:php=table --> </table>

Ftran https://vasp.at/wiki/index.php?title=SDFTD3_XC&diff=34366&oldid=prev 2026-03-02T11:00:42Z

<p>Created page with &quot;{{DISPLAYTITLE:SDFTD3_XC}} {{TAGDEF|SDFTD3_XC|[string]|The functional set by the {{TAG|GGA}}, {{TAG|METAGGA}} or {{TAG|XC}} tag.}} Description: {{TAG|SDFTD3_XC}} sets the exchange-correlation functional which determines the van der Waals parameters used in the DFT-D3 method implemented in the <a href="/wiki/Simple-DFT-D3" title="Simple-DFT-D3">simple-DFT-D3</a> package. ---- {{TAG|SDFTD3_XC}} allows to choose the exchange-correlation functional that determines which set of van der Waals parameters is used in the DFT-D3 m...&quot;</p> <p><b>New page</b></p><div>{{DISPLAYTITLE:SDFTD3_XC}}<br /> {{TAGDEF|SDFTD3_XC|[string]|The functional set by the {{TAG|GGA}}, {{TAG|METAGGA}} or {{TAG|XC}} tag.}}<br /> <br /> Description: {{TAG|SDFTD3_XC}} sets the exchange-correlation functional which determines the van der Waals parameters used in the DFT-D3 method implemented in the [[simple-DFT-D3]] package.<br /> ----<br /> {{TAG|SDFTD3_XC}} allows to choose the exchange-correlation functional that determines which set of van der Waals parameters is used in the DFT-D3 method implemented in the [[simple-DFT-D3]] package ({{TAG|IVDW}}=15).<br /> <br /> The possible choices (e.g., {{TAG|SDFTD3_XC}}=pbe, hse06, ...) depend on the damping function selected with the {{TAG|SDFTD3_DAMPING}} tag and are listed in the file param.f90 of the [[simple-DFT-D3]] source code.<br /> {{NB|mind|<br /> *The {{TAG|SDFTD3_XC}} tag is available from VASP.6.6.0 onwards.<br /> *The {{TAG|SDFTD3_XC}} tag can be used only for the simple DFT-D3 package ({{TAG|IVDW}}{{=}}15).}}<br /> <br /> == Related tags and articles ==<br /> {{TAG|IVDW}},<br /> {{TAG|SDFTD3_DAMPING}},<br /> {{TAG|GGA}},<br /> {{TAG|METAGGA}},<br /> {{TAG|XC}},<br /> [[simple-DFT-D3]]<br /> <br /> {{sc|SDFTD3_XC|Examples|Examples that use this tag}}<br /> <br /> ----<br /> [[Category:INCAR tag]][[Category:Exchange-correlation functionals]][[Category:van der Waals functionals]]</div>

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