<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=utf-8">
<style type="text/css" style="display:none;"> P {margin-top:0;margin-bottom:0;} </style>
</head>
<body dir="ltr">
<div style="color: rgb(0, 0, 0); font-family: Calibri,Arial,Helvetica,sans-serif; font-size: 12pt;">
<span>Thank you. </span></div>
<div style="color: rgb(0, 0, 0); font-family: Calibri,Arial,Helvetica,sans-serif; font-size: 12pt;">
<span><br>
</span></div>
<div style="color: rgb(0, 0, 0); font-family: Calibri,Arial,Helvetica,sans-serif; font-size: 12pt;">
<span>I had created a TiC directory; however, I was looking inside of the lapw2.def and lapw2.error files for the wien2k directory instead of the TiC directory, which also has its own lapw2.error file and lapw2.def files. They would have TiC as directory like
you indicated.</span></div>
<div id="appendonsend"></div>
<hr style="display:inline-block;width:98%" tabindex="-1">
<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> Wien <wien-bounces@zeus.theochem.tuwien.ac.at> on behalf of Laurence Marks <laurence.marks@gmail.com><br>
<b>Sent:</b> Friday, April 17, 2020 11:20 AM<br>
<b>To:</b> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at><br>
<b>Subject:</b> Re: [Wien] Lapw.2 error</font>
<div> </div>
</div>
<div>
<div dir="ltr">
<div class="x_gmail_default" style="font-family:verdana,sans-serif; color:#000000">
This may have nothing to do with it, but why is your directory WIEN2k? The normal convention is, for instance, to have a directory TiC in which your structure file is TiC.struct etc. I hope you are not running in the installation directory, I suspect that could
lead to chaos!</div>
</div>
<br>
<div class="x_gmail_quote">
<div dir="ltr" class="x_gmail_attr">On Fri, Apr 17, 2020 at 1:02 PM Johnathon Street <<a href="mailto:jstreet1@csub.edu">jstreet1@csub.edu</a>> wrote:<br>
</div>
<blockquote class="x_gmail_quote" style="margin:0px 0px 0px 0.8ex; border-left:1px solid rgb(204,204,204); padding-left:1ex">
<div dir="ltr">
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
Prof. Blaha,</div>
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
<br>
</div>
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
I am running Wien2k version 19.1 on Ubuntu. When running the SFC cycle I am receiving the following error in Lapw2. error file.</div>
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
<br>
</div>
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
<span> 'LAPW2' - can't open unit: 15 <br>
</span>
<div> 'LAPW2' - filename: WIEN2k.tmp </div>
<span> 'LAPW2' - status: scratch form: unformatted </span></div>
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
<br>
</div>
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
I have searched the mailing list and found a possible solution would be to delete line 15 in the lapw2.def file which appears as below:</div>
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
<br>
</div>
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
<span> 2,'WIEN2k.nsh', 'unknown','unformatted',0<br>
</span>
<div> 3,'WIEN2k.in1', 'unknown','formatted',0</div>
<div> 4,'WIEN2k.inso', 'unknown','formatted',0</div>
<div> 5,'WIEN2k.in2', 'old', 'formatted',0</div>
<div> 6,'WIEN2k.output2','unknown','formatted',0</div>
<div> 7,'WIEN2k.vorb','unknown','formatted',0</div>
<div> 8,'WIEN2k.clmval','unknown','formatted',0</div>
<div>10,'./WIEN2k.vector', 'unknown','unformatted',9000</div>
<div>13,'WIEN2k.recprlist', 'unknown','unformatted',9000</div>
<div>14,'WIEN2k.kgen', 'unknown','formatted',0</div>
<div>16,'WIEN2k.qtl', 'unknown','formatted',0</div>
<div>17,'WIEN2k.weightaver','unknown','formatted',0</div>
<div>18,'WIEN2k.vsp', 'old', 'formatted',0</div>
<div>19,'WIEN2k.vns', 'unknown','formatted',0</div>
<div>20,'WIEN2k.struct', 'old', 'formatted',0</div>
<div>21,'WIEN2k.scf2','unknown','formatted',0</div>
<div>922,'WIEN2k.rotlm', 'unknown', 'formatted',0</div>
<div>23,'WIEN2k.radwf', 'unknown', 'formatted',0</div>
<div>26,'WIEN2k.weight', 'unknown','formatted',0</div>
<div>27,'WIEN2k.weightdn', 'unknown','formatted',0</div>
<div>29,'WIEN2k.energydn','unknown','formatted',0</div>
<div>30,'WIEN2k.energy', 'unknown','formatted',0</div>
<div>32,'WIEN2k.qdmft', 'unknown', 'formatted',0</div>
<div>34,'WIEN2k.oubwin', 'unknown', 'formatted',0</div>
<span>231,'WIEN2k.dmftsym', 'unknown', 'formatted',0</span></div>
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
<br>
</div>
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
so that the lapw.def file looks like this.</div>
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
<br>
</div>
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
line 15 prior to deletion is as follows:</div>
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
<br>
</div>
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
15, 'WIEN2k.tmp', 'scratch', unformatted' ,0</div>
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
<br>
</div>
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
I continue to get the same error following deleting line 15. Do you have any suggestions </div>
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
<br>
</div>
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
Thank you,</div>
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
Johnathon Street</div>
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
<br>
</div>
<div style="color:rgb(0,0,0); font-family:Calibri,Arial,Helvetica,sans-serif; font-size:12pt">
<br>
</div>
</div>
_______________________________________________<br>
Wien mailing list<br>
<a href="mailto:Wien@zeus.theochem.tuwien.ac.at" target="_blank">Wien@zeus.theochem.tuwien.ac.at</a><br>
<a href="https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!BMa1D1qNnQmptPuCfS6VM-yj1xakPH0xhKCtIv9DReLsGVEuTMTkH-QXfeTzi5FI7psSVQ$" rel="noreferrer" target="_blank">https://urldefense.com/v3/__http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien__;!!Dq0X2DkFhyF93HkjWTBQKhk!BMa1D1qNnQmptPuCfS6VM-yj1xakPH0xhKCtIv9DReLsGVEuTMTkH-QXfeTzi5FI7psSVQ$</a>
<br>
SEARCH the MAILING-LIST at: <a href="https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!BMa1D1qNnQmptPuCfS6VM-yj1xakPH0xhKCtIv9DReLsGVEuTMTkH-QXfeTzi5Ea7fovWg$" rel="noreferrer" target="_blank">
https://urldefense.com/v3/__http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html__;!!Dq0X2DkFhyF93HkjWTBQKhk!BMa1D1qNnQmptPuCfS6VM-yj1xakPH0xhKCtIv9DReLsGVEuTMTkH-QXfeTzi5Ea7fovWg$</a>
<br>
</blockquote>
</div>
<br clear="all">
<div><br>
</div>
-- <br>
<div dir="ltr" class="x_gmail_signature">
<div dir="ltr">Professor Laurence Marks<br>
Department of Materials Science and Engineering<br>
Northwestern University<br>
<a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.numis.northwestern.edu_&d=DwMFaQ&c=8Ipd-S27WuaKn7LZs55QTnbDbMQSs_VN5Yh9G3ue5PM&r=5oCCMX5ABEm0P-_R3B_pboxdN4aOqH06eJrnQJZYiDs&m=ACthE4yLG6crekL5263t5iNdIXCATczAmnexfyzWiQc&s=Ln0E2sAZ19Xjc2VGNcvKtlivB-2Y4cXdGzvLvglYwMQ&e=" target="_blank">www.numis.northwestern.edu</a>
<div>Corrosion in 4D: <a href="https://urldefense.proofpoint.com/v2/url?u=http-3A__www.numis.northwestern.edu_MURI&d=DwMFaQ&c=8Ipd-S27WuaKn7LZs55QTnbDbMQSs_VN5Yh9G3ue5PM&r=5oCCMX5ABEm0P-_R3B_pboxdN4aOqH06eJrnQJZYiDs&m=ACthE4yLG6crekL5263t5iNdIXCATczAmnexfyzWiQc&s=JhpJS8dDSyotI4ZsweqYRvosbLrYt01LPAU9u3FR2tQ&e=" target="_blank">
www.numis.northwestern.edu/MURI</a><br>
Co-Editor, Acta Cryst A<br>
"Research is to see what everybody else has seen, and to think what nobody else has thought"<br>
Albert Szent-Gyorgi</div>
</div>
</div>
</div>
</body>
</html>