<div dir="ltr"><div class="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="gmail_quote"><div dir="ltr" class="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="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">
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Prof. Blaha,</div>
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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>
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<span> 'LAPW2' - can't open unit: 15 <br>
</span>
<div> 'LAPW2' - filename: WIEN2k.tmp </div>
<span> 'LAPW2' - status: scratch form: unformatted </span></div>
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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>
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<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>
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so that the lapw.def file looks like this.</div>
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<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>
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15, 'WIEN2k.tmp', 'scratch', unformatted' ,0</div>
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I continue to get the same error following deleting line 15. Do you have any suggestions </div>
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Thank you,</div>
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Johnathon Street</div>
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</blockquote></div><br clear="all"><div><br></div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr">Professor Laurence Marks<br>Department of Materials Science and Engineering<br>Northwestern University<br><a href="http://www.numis.northwestern.edu/" target="_blank">www.numis.northwestern.edu</a><div>Corrosion in 4D: <a href="http://www.numis.northwestern.edu/MURI" 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>