https://vasp.at/wiki/index.php?action=history&feed=atom&title=PHON_SIGMA 2026-04-14T21:39:21Z Revision history for this page on the wiki MediaWiki 1.43.8 https://vasp.at/wiki/index.php?title=PHON_SIGMA&diff=24232&oldid=prev 2024-02-20T08:58:12Z

<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 08:58, 20 February 2024</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l3">Line 3:</td> <td colspan="2" class="diff-lineno">Line 3:</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>{{DEF|PHON_SIGMA|0.0005 eV|}}</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>{{DEF|PHON_SIGMA|0.0005 eV|}}</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" 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>Description: <del style="font-weight: bold; text-decoration: none;">{{TAG|PHON_SIGMA}} sets </del>the width of the <del style="font-weight: bold; text-decoration: none;">gaussian </del>function in <del style="font-weight: bold; text-decoration: none;">units of </del>eV to <del style="font-weight: bold; text-decoration: none;">use in the computation of </del>the phonon density of states.</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>Description: <ins style="font-weight: bold; text-decoration: none;">Set </ins>the width of the <ins style="font-weight: bold; text-decoration: none;">Gaussian </ins>function in eV to <ins style="font-weight: bold; text-decoration: none;">compute </ins>the phonon density of states.</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>----</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> </table>

Huebsch https://vasp.at/wiki/index.php?title=PHON_SIGMA&diff=18789&oldid=prev 2022-08-11T11:46:43Z

<p>Created page with &quot;{{DISPLAYTITLE:PHON_SIGMA}} {{TAGDEF|PHON_SIGMA| [real] }} {{DEF|PHON_SIGMA|0.0005 eV|}} Description: {{TAG|PHON_SIGMA}} sets the width of the gaussian function in units of e...&quot;</p> <p><b>New page</b></p><div>{{DISPLAYTITLE:PHON_SIGMA}}<br /> {{TAGDEF|PHON_SIGMA| [real] }}<br /> {{DEF|PHON_SIGMA|0.0005 eV|}}<br /> <br /> Description: {{TAG|PHON_SIGMA}} sets the width of the gaussian function in units of eV to use in the computation of the phonon density of states.<br /> <br /> ----<br /> <br /> The density of states is computed between <br /> &lt;math&gt;[\omega_{\text{min}}-5\sigma,\omega_{\text{max}}+5\sigma]&lt;/math&gt; with <br /> &lt;math&gt;\omega_{\text{min}}&lt;/math&gt; and <br /> &lt;math&gt;\omega_{\text{max}}&lt;/math&gt; the lowest and highest phonon frequency and <br /> &lt;math&gt;\sigma&lt;/math&gt; the broadening {{TAG|PHON_SIGMA}}.<br /> The number of energy points in this interval is set by {{TAG|PHON_NEDOS}}.<br /> {{NB|mind| Only available as of VASP 6.4.0.}}<br /> ==Related tags and articles==<br /> {{FILE| QPOINTS}},<br /> {{TAG | PHON_NWRITE}},<br /> {{TAG | LPHON_POLAR}},<br /> {{TAG | PHON_DIELECTRIC}},<br /> {{TAG | PHON_BORN_CHARGES}},<br /> {{TAG | PHON_G_CUTOFF}}<br /> <br /> {{sc|LPHON_DISPERSION|Examples|Examples that use this tag}}<br /> <br /> [[Category:INCAR tag]][[Category:Phonons]]</div>

Miranda.henrique