Vaspwiki standards: Difference between revisions

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{{TAGDEF|ICHARG|0 {{!}} 1 {{!}} 2 {{!}} 4}}
{{TAGDEF|ICHARG|0 {{!}} 1 {{!}} 2 {{!}} 4}}
{{DEF|ICHARG|2|if {{TAG|ISTART}}{{=}}0|0|else}}
{{DEF|ICHARG|2|if {{TAG|ISTART}}{{=}}0|0|else}}


The TAGDEF template can harbor up to six "default|condition" combinations.
The TAGDEF template can harbor up to six "default|condition" combinations.
Line 35: Line 36:
<pre>Description: {{TAG|TAGNAME}} ...
<pre>Description: {{TAG|TAGNAME}} ...
----
----
and maybe lots of text etc
and maybe lots of text ... like if you want to know how to put
in an equation in LaTeX style then have a look at the source of the {{TAG|PREC}} page
</pre>
</pre>


Description: {{TAG|TAGNAME}} ...
Description: {{TAG|TAGNAME}} ...
----
----
and your text maybe lots of text etc
and your text maybe lots of text ... like if you want to know how to put
in an equation in LaTeX style then have a look at the source of [[Vaspwiki_standards#mathsrc|an equation array]].
 
*By the way this is how to refer to all tags and files
 
<pre>{{TAG|TAGNAME}} and {{FILE|FILENAME}}</pre>
 
{{TAG|TAGNAME}} and {{FILE|FILENAME}}
 
*If you want to know how to quote whole pieces of input and output have a look at the source of {{TAG|ROPT}} and [[list_of_hybrid_functionals|a page with pieces of INCAR text]], or to the source of this page of course.
 
*To create a hook to which one may jump, for instance to the following equation array:
<span id="mathsrc">
<pre>
<span id="eqnarray">
<math>
\begin{align}
\frac{e}{\pi} & =\int_\Omega \psi (\mathbf{r}) d\mathbf{r} \\
a & = b \\
\end{align}
</math>
</span>
</pre>
</span>
 
<span id="eqnarray">
<math>
\begin{align}
\frac{e}{\pi} & =\int_\Omega \psi (\mathbf{r}) d\mathbf{r} \\
a & = b \\
\end{align}
</math>
</span>
 
 
You may then jump to the aformention equation array with
<pre>[[Vaspwiki_standards#eqnarray|an equation array]]</pre>
[[Vaspwiki_standards#eqnarray|an equation array]] or to [[LREAL#cproj|another example]] in another section.
 


*Optionally put in
*Optionally put in
Line 46: Line 86:
<pre>== Related Tags and Sections ==
<pre>== Related Tags and Sections ==
{{TAG|PREC}},
{{TAG|PREC}},
[[specific_hybrid_functionals|an internal link]]
[[list_of_hybrid_functionals|an internal link]]


[http://www.mediawiki.org/wiki/Help:Formatting How to format text etc]
[http://www.mediawiki.org/wiki/Help:Formatting How to format text etc]
Line 55: Line 95:
== Related Tags and Sections ==
== Related Tags and Sections ==
{{TAG|PREC}},
{{TAG|PREC}},
[[specific_hybrid_functionals|an internal link]]
[[list_of_hybrid_functionals|an internal link]]


[http://www.mediawiki.org/wiki/Help:Formatting How to format text etc]
[http://www.mediawiki.org/wiki/Help:Formatting How to format text etc]
Line 68: Line 108:
== References ==
== References ==
<references>
<references>
<ref name="name1">[http://link.aps.org/doi/10.1103/PhysRevB.39.4997 |I. Stich, R. Car, M. Parrinello and S. Baroni, Phys Rev. B 39, 4997 (1989).]</ref>
<ref name="name1">[http://link.aps.org/doi/10.1103/PhysRevB.39.4997 I. Stich, R. Car, M. Parrinello and S. Baroni, Phys Rev. B 39, 4997 (1989).]</ref>
<ref name="name2">[http://dx.doi.org/10.1088/0953-8984/1/4/005 |M.J. Gillan, J. Phys.: Condens. Matter 1, 689 (1989).]</ref>
<ref name="name2">[http://dx.doi.org/10.1088/0953-8984/1/4/005 M.J. Gillan, J. Phys.: Condens. Matter 1, 689 (1989).]</ref>
</references>
</references>
</pre>
</pre>
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....
....
....
....
== References ==
== References ==
<references>
<references>
Line 86: Line 127:


<pre>----
<pre>----
[[The_VASP_Manual|Contents]]
[[Category:INCAR]]
[[Category:INCAR]]
</pre>
</pre>
[[The_VASP_Manual|Contents]]
[[Category:INCAR]]

Latest revision as of 19:05, 14 March 2022

  • You might start a page on the INCAR-tag "tagname" as follows
{{TAGDEF|TAGNAME|val1 [{{!}} val2 {{!}} val3 {{!}} .. ] [|default] }}
Examples:
  1. {{TAGDEF|NELM|[integer]}}
    NELM = [integer] 
  2. {{TAGDEF|NELM|[integer]|60}}
    NELM = [integer]
    Default: NELM = 60 
  3. {{TAGDEF|ISTART|0 {{!}} 1  {{!}} 2|0}}
    ISTART = 0 | 1 | 2
    Default: ISTART = 0 
  • When an INCAR-tag has more than one default (a conditional default) use the following construct
{{TAGDEF|TAGNAME|val1 {{!}} val2 {{!}} val3}}
{{DEF|TAGNAME|default1|condition1|default2|condition2 [|default3|condition3] ... }}

TAGNAME = val1 | val2 | val3 

Default: TAGNAME = default1 condition1
= default2 condition2
= default3 condition3

for instance

{{TAGDEF|ICHARG|0 {{!}} 1 {{!}} 2 {{!}} 4}}
{{DEF|ICHARG|2|if {{TAG|ISTART}}{{=}}0|0|else}}

ICHARG = 0 | 1 | 2 | 4 

Default: ICHARG = 2 if ISTART=0
= 0 else


The TAGDEF template can harbor up to six "default|condition" combinations.

  • Followed by
Description: {{TAG|TAGNAME}} ...
----
and maybe lots of text ... like if you want to know how to put
in an equation in LaTeX style then have a look at the source of the {{TAG|PREC}} page

Description: TAGNAME ...


and your text maybe lots of text ... like if you want to know how to put in an equation in LaTeX style then have a look at the source of an equation array.

  • By the way this is how to refer to all tags and files
{{TAG|TAGNAME}} and {{FILE|FILENAME}}

TAGNAME and FILENAME

  • To create a hook to which one may jump, for instance to the following equation array:

<span id="eqnarray">
<math>
\begin{align}
\frac{e}{\pi} & =\int_\Omega \psi (\mathbf{r}) d\mathbf{r} \\
a & = b \\
\end{align}
</math>
</span>


You may then jump to the aformention equation array with

[[Vaspwiki_standards#eqnarray|an equation array]]

an equation array or to another example in another section.


  • Optionally put in
== Related Tags and Sections ==
{{TAG|PREC}},
[[list_of_hybrid_functionals|an internal link]]

[http://www.mediawiki.org/wiki/Help:Formatting How to format text etc]

[http://www.mediawiki.org/wiki/Help:Links Links in a mediawiki environment]

Related Tags and Sections

PREC, an internal link

How to format text etc

Links in a mediawiki environment

  • And if applicable
.... in your text somewhere ... <ref name="name1"/>
and .. somewhere else <ref name="name2"/>
....
....
== References ==
<references>
<ref name="name1">[http://link.aps.org/doi/10.1103/PhysRevB.39.4997 I. Stich, R. Car, M. Parrinello and S. Baroni, Phys Rev. B 39, 4997 (1989).]</ref>
<ref name="name2">[http://dx.doi.org/10.1088/0953-8984/1/4/005 M.J. Gillan, J. Phys.: Condens. Matter 1, 689 (1989).]</ref>
</references>

.... in your text somewhere ... [1] and .. somewhere else [2] .... ....

References

  • End with
----
[[Category:INCAR]]