https://turbogap.fi/wiki/index.php?action=history&feed=atom&title=Vdw_rcut 2026-04-27T16:27:48Z Revision history for this page on the wiki MediaWiki 1.34.2 https://turbogap.fi/wiki/index.php?title=Vdw_rcut&diff=152&oldid=prev 2021-07-27T06:25:40Z

<p>Created page with &quot;&lt;code&gt;<a href="/wiki/index.php/Vdw_rcut" title="Vdw rcut">vdw_rcut</a>&lt;/code&gt; sets the cutoff radius for <a href="/wiki/index.php/Van_der_Waals_corrections" title="Van der Waals corrections">van der Waals corrections</a>, in Angstrom. === Summary === {| class=&quot;wikitable&quot; |+ Summary for &lt;code&gt;vdw_rcut&lt;/code&gt; ke...&quot;</p> <p><b>New page</b></p><div>&lt;code&gt;[[vdw_rcut]]&lt;/code&gt; sets the cutoff radius for [[van der Waals corrections]], in Angstrom.<br /> <br /> === Summary ===<br /> <br /> {| class=&quot;wikitable&quot;<br /> |+ Summary for &lt;code&gt;vdw_rcut&lt;/code&gt; keyword<br /> ! style=&quot;text-align:left;&quot;| Required/optional<br /> ! style=&quot;text-align:left;&quot;| Type<br /> ! style=&quot;text-align:left;&quot;| Accepted values<br /> ! style=&quot;text-align:left;&quot;| Default<br /> ! style=&quot;text-align:left;&quot;| See also<br /> |-<br /> | Optional<br /> | Real<br /> | Any positive real<br /> | 10.<br /> | [[van der Waals corrections]], &lt;code&gt;[[vdw_type]]&lt;/code&gt;, &lt;code&gt;[[vdw_sr]]&lt;/code&gt;, &lt;code&gt;[[vdw_d]]&lt;/code&gt;, &lt;code&gt;[[vdw_c6_ref]]&lt;/code&gt;, &lt;code&gt;[[vdw_r0_ref]]&lt;/code&gt;, &lt;code&gt;[[vdw_alpha0_ref]]&lt;/code&gt;<br /> |}<br /> <br /> === Example ===<br /> <br /> vdw_type = none<br /> vdw_rcut = 15.<br /> vdw_sr = 0.94<br /> vdw_d = 20.<br /> vdw_c6_ref = 27.8 ! eV * Angstrom^6, one per species<br /> vdw_r0_ref = 1.9 ! Angstrom, one per species<br /> vdw_alpha0_ref = 1.778 ! Angstrom^3, one per species</div>

Miguel Caro