<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:18pt"><div><span>Dear Sir Peter Blaha</span></div><div style="color: rgb(0, 0, 0); font-size: 24px; font-family: 'times new roman', 'new york', times, serif; background-color: transparent; font-style: normal;"><span>I checked the the case.scfi and i have 28 eigen valves. And the number of selected k-points 252. and dear sir Arshad i didn't run in the parallal.</span></div><div style="color: rgb(0, 0, 0); font-size: 24px; font-family: 'times new roman', 'new york', times, serif; background-color: transparent; font-style: normal;"><span>with regards</span></div><div style="color: rgb(0, 0, 0); font-size: 24px; font-family: 'times new roman', 'new york', times, serif; background-color: transparent; font-style: normal;"><span>sikander</span></div><div><br></div> <div style="font-family: 'times new roman', 'new york', times, serif;
font-size: 18pt;"> <div style="font-family: 'times new roman', 'new york', times, serif; font-size: 12pt;"> <div dir="ltr"> <hr size="1"> <font size="2" face="Arial"> <b><span style="font-weight:bold;">From:</span></b> Peter Blaha <pblaha@theochem.tuwien.ac.at><br> <b><span style="font-weight: bold;">To:</span></b> A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> <br> <b><span style="font-weight: bold;">Sent:</span></b> Wednesday, September 11, 2013 10:16 AM<br> <b><span style="font-weight: bold;">Subject:</span></b> Re: [Wien] Regarding band structure<br> </font> </div> <div class="y_msg_container"><br>Did you read the previous post as mentioned by Gavin Abo ???<br><br><a href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-January/016037.html" target="_blank">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-January/016037.html</a><br><br>Which version of WIEN2k are you using (cat $WIENROOT/VERSION)
??<br><br>look into case.scf1 How many eigenvalues are printed ???<br><br><br>On 09/11/2013 09:22 AM, sikandar azam wrote:<br>> Dear Yasir Ali<br>> I already used both the commands 4 times i used x spaghetti and 2 times<br>> x spaghetti -c<br>><br>> ------------------------------------------------------------------------<br>> *From:* Yasir Ali <<a ymailto="mailto:yasiralikhan_25@yahoo.com" href="mailto:yasiralikhan_25@yahoo.com">yasiralikhan_25@yahoo.com</a>><br>> *To:* A Mailing list for WIEN2k users <<a ymailto="mailto:wien@zeus.theochem.tuwien.ac.at" href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>><br>> *Sent:* Wednesday, September 11, 2013 6:21 AM<br>> *Subject:* Re: [Wien] Regarding band structure<br>><br>> I do not know the reason but it may work.<br>> Instead of giving command "*x spaghetti -c*" give only**"*x<br>> spaghetti*".I assume this will work as it
have worked for me many times.*<br>> *<br>><br>><br>><br>><br>><br>><br>> Regards:<br>> Yasir Ali<br>> Scientific Officer<br>> NINVAST<br>> NCP Complex<br>> Quaid Azam University<br>> Islamabad Pakistan<br>><br>> ------------------------------------------------------------------------<br>> *From:* Gavin Abo <<a ymailto="mailto:gsabo@crimson.ua.edu" href="mailto:gsabo@crimson.ua.edu">gsabo@crimson.ua.edu</a>><br>> *To:* A Mailing list for WIEN2k users <<a ymailto="mailto:wien@zeus.theochem.tuwien.ac.at" href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</a>><br>> *Sent:* Tuesday, September 10, 2013 10:03 PM<br>> *Subject:* Re: [Wien] Regarding band structure<br>><br>><br>>> Your approach is correct. I do not see anything wrong. When I run "x<br>>> spaghetti", this is what I see<br>>> SPAGH: Read band energy from
case.output1<br>>> number of k-points read in case.vector= 51<br>>> SPAGH END<br>>> 0.043u 0.026s 0:00.07 85.7% 0+0k 0+0io 0pf+0w<br>>> I am curious, why don't you have the 1st line? Is *.output1 in place?<br>>> Other than that: no idea. Sorry.<br>>><br>> This may be a new line printed by Wien2k 13.1. So likely an older<br>> version is being used.<br>><br>>> On Tue, Sep 10, 2013 at 8:43 AM, sikandar azam<br>>> <<a ymailto="mailto:sikandar_hu@yahoo.com" href="mailto:sikandar_hu@yahoo.com">sikandar_hu@yahoo.com</a> <mailto:<a ymailto="mailto:sikandar_hu@yahoo.com" href="mailto:sikandar_hu@yahoo.com">sikandar_hu@yahoo.com</a>>> wrote:<br>>><br>>> Hello all<br>>> I am facing the problem in plotting the band
structure,<br>>> especially for big compounds like biological compounds.<br>>> I get this problem<br>>> Commandline: *x spaghetti -c*<br>>> Program input is: *""*<br>>><br>>> number of k-points read in case.vector= 251<br>>> forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>>> 0.279u 0.069s 0:00.51 64.7% 0+0k 0+0io 12pf+0w<br>>> error: command /home/azam/WIEN2k111-lopw/spaghetti spaghetti.def failed<br>>><br>>> please some one help me.<br>>> thanks in advance<br>>> with regards<br>>>
sikander Azam<br>>><br>>><br>><br>> This is similar to a previously reported error:<br>><br>> <a href="http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-January/016037.html" target="_blank">http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-January/016037.html</a><br>><br>> To know if it solves the problem or not, the user would have to apply<br>> the fix to the old verison or use 13.1. If it doesn't solve the<br>> problem, the user could do more debugging, the Intel article at the<br>> following link might help:<br>><br>> <a href="http://software.intel.com/en-us/articles/determining-root-cause-of-sigsegv-or-sigbus-errors" target="_blank">http://software.intel.com/en-us/articles/determining-root-cause-of-sigsegv-or-sigbus-errors</a><br>><br>><br>> _______________________________________________<br>> Wien mailing list<br>> <a
ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a> <mailto:<a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto: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>> SEARCH the MAILING-LIST at:<br>> <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>><br>><br>><br>> _______________________________________________<br>> Wien mailing list<br>> <a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto:Wien@zeus.theochem.tuwien.ac.at">Wien@zeus.theochem.tuwien.ac.at</a> <mailto:<a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at"
href="mailto: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>> SEARCH the MAILING-LIST at:<br>> <a href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>><br>><br>><br>><br>> _______________________________________________<br>> Wien mailing list<br>> <a ymailto="mailto:Wien@zeus.theochem.tuwien.ac.at" href="mailto: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>> SEARCH the MAILING-LIST at: <a
href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html" target="_blank">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html</a><br>><br><br>-- <br><br> P.Blaha<br>--------------------------------------------------------------------------<br>Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>Phone: +43-1-58801-165300 FAX: +43-1-58801-165982<br>Email: <a ymailto="mailto:blaha@theochem.tuwien.ac.at" href="mailto:blaha@theochem.tuwien.ac.at">blaha@theochem.tuwien.ac.at</a> WWW: <br><a href="http://info.tuwien.ac.at/theochem/"
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