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Dear Lorenzo,<br>
<br>
I guess it comes from the pw.x input data description: <br>
<br>
<dl style="margin-left: 1.5em;">
<dt><tt><span class="flag">'cg'</span> :</tt></dt>
<dd>
<pre style="margin-top: 0em; margin-bottom: -1em;">Conjugate-gradient-like band-by-band diagonalization.
Typically slower than 'david' but it uses less memory
and is more robust (it seldom fails).</pre>
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<p>Best regards,</p>
<p>Malte<br>
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<pre style="margin-top: 0em; margin-bottom: -1em;">
</pre>
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<blockquote type="cite"
cite="mid:3946438a-2f81-a499-94c7-dd6cb6889fd1@impmc.upmc.fr"> <br>
<blockquote type="cite"
cite="mid:YQBPR01MB0210FFF1B22679BF8A1A4342AC920@YQBPR01MB0210.CANPRD01.PROD.OUTLOOK.COM">
<div id="divtagdefaultwrapper" style="font-size: 12pt; color:
rgb(0, 0, 0); font-family: Calibri, Helvetica, sans-serif,
EmojiFont, "Apple Color Emoji", "Segoe UI
Emoji", NotoColorEmoji, "Segoe UI Symbol",
"Android Emoji", EmojiSymbols, EmojiFont,
"Apple Color Emoji", "Segoe UI Emoji",
NotoColorEmoji, "Segoe UI Symbol", "Android
Emoji", EmojiSymbols;" dir="ltr">
<div style="font-family: Calibri, Helvetica, sans-serif,
serif, EmojiFont; font-size: 16px;"> diagonalization =
'cg'</div>
<br>
</div>
</blockquote>
Don't use CG, it is slow and does not converge "better" than
davidson.<br>
<br>
Why does everyone use CG diagonalization first thing when they
have the slightest problem? (It is a serious question, if it is in
some tutorial somewhere that tutorial needs to be corrected!)<br>
<br>
<br>
<pre class="moz-signature" cols="72">--
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 442 79822 / skype: paulatz
www: <a class="moz-txt-link-freetext" href="http://www-int.impmc.upmc.fr/%7Epaulatto/" moz-do-not-send="true">http://www-int.impmc.upmc.fr/~paulatto/</a>
mail: 23-24/423 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05</pre>
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</blockquote>
<br>
<pre class="moz-signature" cols="72">--
Malte Sachs
Anorganische Chemie, Fluorchemie
Philipps-Universität Marburg
Hans-Meerwein-Straße 4
35032 Marburg (Paketpost: 35043 Marburg)
Tel.: +49 (0)6421 28 - 25 39 5
<a class="moz-txt-link-freetext" href="http://www.uni-marburg.de/fb15/ag-kraus/">http://www.uni-marburg.de/fb15/ag-kraus/</a>
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