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<div style="font-family: Calibri, sans-serif; font-size: 14px; ">Hi Gavin,</div>
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<div style="font-family: Calibri, sans-serif; font-size: 14px; ">Thanks for taking a look into this. </div>
<div style="font-family: Calibri, sans-serif; font-size: 14px; ">I will try that. </div>
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<div><font class="Apple-style-span" face="arial" size="2">Regards, </font></div>
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<div><font class="Apple-style-span" face="arial" size="2">Jianxin</font></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>Mon, 11 Mar 2013 07:48:29 -0600<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] "cat: .ieds: No such file or directory" during initso_lapw<br>
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<div class="moz-cite-prefix">Line 154 creates the "atom-number, E-param for RLO" lines in case.inso when "a" or "c" is entered, so this line should not be removed. My understanding is that there should be none of these lines when "N" is entered. So you could
ignore the error or exclude it by changing line 154 to:<br>
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if( $localp != 'n' ) cat .ieds >> $file.inso<br>
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On 2/21/2013 1:12 PM, Gavin Abo wrote:<br>
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<div class="moz-cite-prefix">This concerns the make_inso_lapw script in Wien2k 12.1. The same script file is different in 11.1.<br>
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On 2/21/2013 12:40 PM, Zhu, Jianxin wrote:<br>
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<div>Dear Peter and Wien2k users,</div>
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<div>During the running of initso_lapw, I notice the following if I hit "N" (or choose "no" for all types after hitting "c") in response to </div>
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<div>---->Add RLO for NONE, ALL, CHOOSE elements? (N/a/c) : N</div>
<div>cat: .ieds: No such file or directory</div>
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<div>Dr. Gavin Abo pointed out ---</div>
<div>This comes <span class="Apple-style-span" style="font-family: Calibri; font-size: medium; ">from line 154 in the script make_inso_lapw in the $WIENROOT directory.</span></div>
<div><span class="Apple-style-span" style="font-family:
Calibri; font-size: medium; ">There is code to create the file on line 143 with an echo command. However, the goto statement on line 71 always jumps over the code that seems to create
it.</span></div>
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<div>My question is: When NO_RLO is in effect, do we still need the file ".ieds"? </div>
<div>Can I simply comment out the line 154 --</div>
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<div>cat .ieds >> $file.inso</div>
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<div>?</div>
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<div>Thanks, </div>
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<div>Jianxin</div>
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