<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">I tried the Wien2k 10 the same error I face <br>
<pre>> stop error<br><br>lapwso 0804AE01 Unknown Unknown Unknown<br>libc.so.6 00B496D5 Unknown Unknown Unknown<br>lapwso 0804AEF1 Unknown Unknown Unknown<br>lapwso 08067847 Unknown Unknown Unknown<br>lapwso 08062281 Unknown Unknown Unknown<br>lapwso 080A023F Unknown Unknown Unknown<br>lapwso 080A1DAD Unknown Unknown Unknown<br>lapwso 0808CD8B Unknown Unknown Unknown<br>lapwso 0808D407 Unknown Unknown Unknown<br>lapwso 080B7CEF Unknown Unknown Unknown<br>lapwso 080F6DD5 Unknown Unknown Unknown<br>lapwso 080F7FDD Unknown Unknown Unknown<br>Image PC Routine Line Source
<br>forrtl: severe (64): input conversion error, unit 5, file /root/WIEN2k/wien10_test/test2/test2.inso<br> LAPW1 END<br> LAPW1 END<br> LAPW0 END<br><br>the file is in attachments<br>I just work with FCC structure so I make the direction <br>of magnetization in the plane 1 1 1<br>my structure is FeN FCC it is a test of spin orbit calculation<br>I fail till now , this is my first test<br><br><br></pre>
<br><br>--- On <b>Sat, 10/23/10, Peter Blaha <i><pblaha@theochem.tuwien.ac.at></i></b> wrote:<br><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><br>From: Peter Blaha <pblaha@theochem.tuwien.ac.at><br>Subject: Re: [Wien] spin orbit calculation<br>To: "A Mailing list for WIEN2k users" <wien@zeus.theochem.tuwien.ac.at><br>Date: Saturday, October 23, 2010, 8:38 AM<br><br><div class="plainMail">What about reading the UG ?<br><br>The new version WIEN2k_10 has a initso, which does it for you <br>automatically.<br><br>Am 23.10.2010 08:36, schrieb Mahmoud Farout:<br>> in the file *.inso<br>> 1 1 1 magnetization direction<br>> NX number of atoms ......<br>> NX1 .........<br>><br>> NX , NX1 must be edited?<br>> If yes , help me, what are their format?<br>> Numbers or what?<br>> I am trying -so
calculation first time using FeN ,FCC crystal<br>><br>> On Fri Oct 22nd, 2010 10:00 PM IST Mahmoud Farout wrote:<br>><br>>> thank you<br>>> but I don't understand you<br>>> what did you mean by typo??<br>>><br>>> --- On Fri, 10/22/10, Stefaan Cottenier<<a ymailto="mailto:Stefaan.Cottenier@UGent.be" href="/mc/compose?to=Stefaan.Cottenier@UGent.be">Stefaan.Cottenier@UGent.be</a>> wrote:<br>>><br>>> From: Stefaan Cottenier<<a ymailto="mailto:Stefaan.Cottenier@UGent.be" href="/mc/compose?to=Stefaan.Cottenier@UGent.be">Stefaan.Cottenier@UGent.be</a>><br>>> Subject: Re: [Wien] WIEN(Spin orbit calculation)<br>>> To: <a ymailto="mailto:wien@zeus.theochem.tuwien.ac.at" href="/mc/compose?to=wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a><br>>> Date: Friday, October 22, 2010, 9:05 PM<br>>><br>>><br>>>> forrtl :severe(64) : input
conversion error , unit 5, file ./root/........./test_so.inso<br>>><br>>> 'input conversion error' : probably a typo in case.inso ?<br>>><br>>> Stefaan<br>>><br>>><br>>><br>>> _______________________________________________<br>>> Wien mailing list<br>>> <a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="/mc/compose?to=Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br>>> <a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br>>><br>>><br>>><br>>><br>><br>><br>><br>> _______________________________________________<br>> Wien mailing list<br>> <a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="/mc/compose?to=Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br>> <a
href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br><br>-- <br>Peter Blaha<br>Inst.Materials Chemistry<br>TU Vienna<br>Getreidemarkt 9<br>A-1060 Vienna<br>Austria<br>+43-1-5880115671<br>_______________________________________________<br>Wien mailing list<br><a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="/mc/compose?to=Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a><br><a href="http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien" target="_blank">http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</a><br></div></blockquote></td></tr></table><br>