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<div>Hi Gavin, </div>
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<div>In the following message, you suggest not comment line 603.</div>
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<div>You then say line 603 is no linger in use. Are you saying line 602 instead?</div>
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<div>Thanks, </div>
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<div>Jianxin </div>
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<span style="font-weight:bold">From: </span>Gavin Abo <<a 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 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 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>
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<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 603 is no longer used and could be commented, but it likely does
not hurt if you keep it. Kind regards.<br>
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On 12/1/2013 2:13 PM, Zhu, Jianxin wrote:<br>
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<blockquote cite="mid:CEC0F428.25B7E%25jxzhu@lanl.gov" type="cite">
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<div>Gavin,</div>
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<div>Are you saying for version 12.1, I should also comment out line 580?</div>
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<div>Thanks,</div>
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<div>Jianxin</div>
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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>
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<div class="moz-cite-prefix"><b>13.1</b><br>
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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>
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If we remove/comment 596, it looks like 602 and 603 will not be used, should we comment/remove them?<br>
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<b>12.1</b><br>
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cp $file.in2_fsm $file.in2c <font color="#000099"><= Line 580</font><br>
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On 12/1/2013 11:18 AM, Zhu, Jianxin wrote:<br>
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<blockquote cite="mid:CEC0CAA0.25A60%25jxzhu@lanl.gov" type="cite">
<pre wrap="">There is no such a line in the runfsm_lapw with version up to 12.1.
Which version are you referring to, 13.1?
Thanks,
Jianxin
On 12/1/13 2:00 AM, <a moz-do-not-send="true" class="moz-txt-link-rfc2396E" href="mailto:tran@theochem.tuwien.ac.at">"tran@theochem.tuwien.ac.at"</a><a moz-do-not-send="true" class="moz-txt-link-rfc2396E" href="mailto:tran@theochem.tuwien.ac.at"><tran@theochem.tuwien.ac.at></a> wrote:
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<pre wrap="">Related to your question, recently a severe bug in the
script runfsm_lapw was fixed:
The following line has to be removed or commented
if ( "$orb2" == "-orb" ) goto lcore1
F. Tran
On Sat, 30 Nov 2013, Alaska Subedi wrote:
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