<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;">Thank you Dr Stefan <br>in my calculation I tried NX=0<br>and delete NX1 then every thing is well<br>thank you<br><br>--- On <b>Sun, 10/24/10, Gerhard Fecher <i><fecher@uni-mainz.de></i></b> wrote:<br><blockquote style="border-left: 2px solid rgb(16, 16, 255); margin-left: 5px; padding-left: 5px;"><br>From: Gerhard Fecher <fecher@uni-mainz.de><br>Subject: Re: [Wien] spin orbit calculation (problem with Wien2k_10)<br>To: "A Mailing list for WIEN2k users" <wien@zeus.theochem.tuwien.ac.at><br>Date: Sunday, October 24, 2010, 11:26 PM<br><br><div class="plainMail">why don't you give numbers but NX or NX1 in youre .inso file ?<br><br>Ciao<br>Gerhard<br><br>====================================<br>Dr. Gerhard H. Fecher<br>Institut of Inorganic and Analytical Chemistry<br>Johannes Gutenberg - University<br>55099
Mainz<br>________________________________________<br>Von: <a ymailto="mailto:wien-bounces@zeus.theochem.tuwien.ac.at" href="/mc/compose?to=wien-bounces@zeus.theochem.tuwien.ac.at">wien-bounces@zeus.theochem.tuwien.ac.at</a> [<a ymailto="mailto:wien-bounces@zeus.theochem.tuwien.ac.at" href="/mc/compose?to=wien-bounces@zeus.theochem.tuwien.ac.at">wien-bounces@zeus.theochem.tuwien.ac.at</a>]&quot; im Auftrag von &quot;Mahmoud Farout [<a ymailto="mailto:mq2021@yahoo.com" href="/mc/compose?to=mq2021@yahoo.com">mq2021@yahoo.com</a>]<br>Gesendet: Sonntag, 24. Oktober 2010 19:07<br>Bis: A Mailing list for WIEN2k users<br>Betreff: Re: [Wien] spin orbit calculation (problem with Wien2k_10)<br><br>every thing going well<br>All Thanks to Dr Stefan and to any body like to help others<br><br>________________________________<br>From: Mahmoud Farout <<a ymailto="mailto:mq2021@yahoo.com" href="/mc/compose?to=mq2021@yahoo.com">mq2021@yahoo.com</a>><br>To: A
Mailing list for WIEN2k users <<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>Sent: Sun, October 24, 2010 5:49:37 PM<br>Subject: Re: [Wien] spin orbit calculation (problem with Wien2k_10)<br><br>I tried the Wien2k 10 the same error I face<br><br>> stop error<br><br>lapwso 0804AE01 Unknown Unknown Unknown<br>libc.so<<a href="http://libc.so" target="_blank">http://libc.so</a>>.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<br> Line Source<br><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><br><br>--- On Sat, 10/23/10, Peter Blaha <<a ymailto="mailto:pblaha@theochem.tuwien.ac.at" href="/mc/compose?to=pblaha@theochem.tuwien.ac.at">pblaha@theochem.tuwien.ac.at</a>> wrote:<br><br>From: Peter Blaha <<a ymailto="mailto:pblaha@theochem.tuwien.ac.at" href="/mc/compose?to=pblaha@theochem.tuwien.ac.at">pblaha@theochem.tuwien.ac.at</a>><br>Subject: Re: [Wien] spin orbit calculation<br>To: "A Mailing list for WIEN2k users" <<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: Saturday, October 23, 2010, 8:38 AM<br><br>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><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></div></blockquote></td></tr></table><br>