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<div class="moz-cite-prefix">Yes, a typo.<br>
<br>
On 12/1/2013 5:58 PM, Zhu, Jianxin wrote:<br>
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<blockquote cite="mid:CEC128E7.25B8F%25jxzhu@lanl.gov" type="cite">
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<div>Hi Gavin, </div>
<div><br>
</div>
<div>In the following message, you suggest not comment line 603.</div>
<div> </div>
</div>
<div>You then say line 603 is no linger in use. Are you saying
line 602 instead?</div>
<div><br>
</div>
<div>Thanks, </div>
<div><br>
</div>
<div>Jianxin </div>
<div><br>
</div>
<div><br>
</div>
<span id="OLK_SRC_BODY_SECTION">
<div style="font-family:Calibri; font-size:11pt;
text-align:left; color:black; BORDER-BOTTOM: medium none;
BORDER-LEFT: medium none; PADDING-BOTTOM: 0in; PADDING-LEFT:
0in; PADDING-RIGHT: 0in; BORDER-TOP: #b5c4df 1pt solid;
BORDER-RIGHT: medium none; PADDING-TOP: 3pt">
<span style="font-weight:bold">From: </span>Gavin Abo <<a
moz-do-not-send="true" href="mailto:gsabo@crimson.ua.edu">gsabo@crimson.ua.edu</a>><br>
<span style="font-weight:bold">Reply-To: </span>A Mailing
list for WIEN2k users <<a moz-do-not-send="true"
href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>><br>
<span style="font-weight:bold">Date: </span>Sunday, December
1, 2013 4:36 PM<br>
<span style="font-weight:bold">To: </span>A Mailing list for
WIEN2k users <<a moz-do-not-send="true"
href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>><br>
<span style="font-weight:bold">Subject: </span>Re: [Wien]
Fixed spin calculations with antiferromagnetic order<br>
</div>
<div><br>
</div>
<blockquote id="MAC_OUTLOOK_ATTRIBUTION_BLOCKQUOTE"
style="BORDER-LEFT: #b5c4df 5 solid; PADDING:0 0 0 5; MARGIN:0
0 0 5;">
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<div bgcolor="#FFFFFF" text="#000000">
<div class="moz-cite-prefix">I looked at it more
carefully. No, do not comment line 603 in 13.1 (line
580 in 12.1). It is still used if line 596 in 13.1 is
commented. On the other hand, line 602 is no longer used
and could be commented, but it likely does not hurt if
you keep it. Kind regards.<br>
<br>
On 12/1/2013 2:13 PM, Zhu, Jianxin wrote:<br>
</div>
<blockquote cite="mid:CEC0F428.25B7E%25jxzhu@lanl.gov"
type="cite">
<div>
<div>Gavin,</div>
<div><br>
</div>
<div>Are you saying for version 12.1, I should also
comment out line 580?</div>
<div><br>
</div>
<div>Thanks,</div>
<div><br>
</div>
<div>Jianxin</div>
<div><br>
</div>
<div><br>
</div>
</div>
<span id="OLK_SRC_BODY_SECTION">
<div style="font-family:Calibri; font-size:11pt;
text-align:left; color:black; BORDER-BOTTOM: medium
none; BORDER-LEFT: medium none; PADDING-BOTTOM: 0in;
PADDING-LEFT: 0in; PADDING-RIGHT: 0in; BORDER-TOP:
#b5c4df 1pt solid; BORDER-RIGHT: medium none;
PADDING-TOP: 3pt">
<span style="font-weight:bold">From: </span>Gavin
Abo <<a moz-do-not-send="true"
href="mailto:gsabo@crimson.ua.edu">gsabo@crimson.ua.edu</a>><br>
<span style="font-weight:bold">Reply-To: </span>A
Mailing list for WIEN2k users <<a
moz-do-not-send="true"
href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>><br>
<span style="font-weight:bold">Date: </span>Sunday,
December 1, 2013 11:40 AM<br>
<span style="font-weight:bold">To: </span>A Mailing
list for WIEN2k users <<a moz-do-not-send="true"
href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>><br>
<span style="font-weight:bold">Subject: </span>Re:
[Wien] Fixed spin calculations with
antiferromagnetic order<br>
</div>
<div><br>
</div>
<blockquote id="MAC_OUTLOOK_ATTRIBUTION_BLOCKQUOTE"
style="BORDER-LEFT: #b5c4df 5 solid; PADDING:0 0 0
5; MARGIN:0 0 0 5;">
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<div class="moz-cite-prefix"><b>13.1</b><br>
<br>
if ( "$orb2" == "-orb" ) goto lcore1 <font
color="#000099"><= Line 596</font><br>
...<br>
lcore1: <font color="#000099"><= Line 602</font><br>
cp $file.in2_fsm $file.in2c <font
color="#000099"><= Line 603</font><br>
<br>
If we remove/comment 596, it looks like 602
and 603 will not be used, should we
comment/remove them?<br>
<br>
<b>12.1</b><br>
<br>
cp $file.in2_fsm $file.in2c <font
color="#000099"><= Line 580</font><br>
<br>
On 12/1/2013 11:18 AM, Zhu, Jianxin wrote:<br>
</div>
<blockquote
cite="mid:CEC0CAA0.25A60%25jxzhu@lanl.gov"
type="cite">
<pre wrap="">There is no such a line in the runfsm_lapw with version up to 12.1.
Which version are you referring to, 13.1?
Thanks,
Jianxin
On 12/1/13 2:00 AM, <a moz-do-not-send="true" class="moz-txt-link-rfc2396E" href="mailto:tran@theochem.tuwien.ac.at">"tran@theochem.tuwien.ac.at"</a><a moz-do-not-send="true" class="moz-txt-link-rfc2396E" href="mailto:tran@theochem.tuwien.ac.at"><tran@theochem.tuwien.ac.at></a> wrote:
</pre>
<blockquote type="cite">
<pre wrap="">Related to your question, recently a severe bug in the
script runfsm_lapw was fixed:
The following line has to be removed or commented
if ( "$orb2" == "-orb" ) goto lcore1
F. Tran
On Sat, 30 Nov 2013, Alaska Subedi wrote:
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