<html>
<head>
<meta content="text/html; charset=ISO-8859-1"
http-equiv="Content-Type">
</head>
<body bgcolor="#FFFFFF" text="#000000">
You would need to modify the code in a bunch of places, as currently
only 3 letters in total are allowed for the species name. I
recommend you just se "Nia" or just invent a new name that suits
you.<br>
<br>
kind regards<br>
<div class="moz-cite-prefix"><br>
<br>
On 08/03/2014 04:15 PM, Pang Rui wrote:<br>
</div>
<blockquote cite="mid:1fe5ec13b3fdd7fa8c10b29aaa17ba7b@127.0.0.1"
type="cite">
<pre wrap="">Hi,everyone.
In the Input describtion of PW, naming an atom as X_* is allowed. However,
as I test, if X has two letters, an error will occure as followed(take the
attachment as an example)
"Error in routine read_cards (1):
species Ni_a in ATOMIC_POSITIONS is nonexistent"
If I switch Ni to C, the error dissappear.
My question is, how can I make this work if I need to name this way?
Thanks for any suggestion.
Best wishes
</pre>
<br>
<fieldset class="mimeAttachmentHeader"></fieldset>
<br>
<pre wrap="">_______________________________________________
Pw_forum mailing list
<a class="moz-txt-link-abbreviated" href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a>
<a class="moz-txt-link-freetext" href="http://pwscf.org/mailman/listinfo/pw_forum">http://pwscf.org/mailman/listinfo/pw_forum</a></pre>
<br>
<pre class="moz-signature" cols="72">--
Dr. Lorenzo Paulatto
IdR @ IMPMC -- CNRS & Université Paris 6
+33 (0)1 44 275 084 / skype: paulatz
<a class="moz-txt-link-freetext" href="http://www.impmc.upmc.fr/~paulatto/">http://www.impmc.upmc.fr/~paulatto/</a>
23-24/4é16 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05</pre>
</blockquote>
</body>
</html>