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<body class="hmmessage"><div dir="ltr">Hi Laurence, I don't think that's the case, all of the other work fine with spin orbit coupling. What bothers me is that, for the same material, it works well with cubic structure, but when I change to tetragonal, it fails. Here's the struct file in case anyone wants to reproduce the bug. https://github.com/wien2wannier/wien2wannier/files/292884/case.struct.txt<br><br><br><div><hr id="stopSpelling">Date: Tue, 31 May 2016 19:17:26 -0500<br>From: laurence.marks@gmail.com<br>To: wien@zeus.theochem.tuwien.ac.at<br>Subject: Re: [Wien] Problem with x w2w -so -up (wien2wannier)<br><br><p dir="ltr">Maybe...the default configuration dies not work if you have a relativistic lo, you have to change and recompile.</p>
<div class="ecxgmail_quote">On May 31, 2016 7:43 PM, "Wen Fong Goh" <<a href="mailto:christopher_gohwf@hotmail.com">christopher_gohwf@hotmail.com</a>> wrote:<br><blockquote class="ecxgmail_quote" style="border-left:1px #ccc solid;padding-left:1ex;">
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<div dir="ltr">Hi, I know this issue has been floating around in the mailing list, but I still couldn't find the solution. When I execute x w2w -up so, I got the following error:<br>
<br>
forrtl: severe (174): SIGSEGV, segmentation fault occurred<br>
Image PC Routine Line Source
<br>
w2wc 00000000004EED15 Unknown Unknown Unknown<br>
w2wc 00000000004ECAD7 Unknown Unknown Unknown<br>
w2wc 00000000004946C4 Unknown Unknown Unknown<br>
w2wc 00000000004944D6 Unknown Unknown Unknown<br>
w2wc 000000000043FED6 Unknown Unknown Unknown<br>
w2wc 0000000000443AF0 Unknown Unknown Unknown<br>
libpthread.so.0 00002AAAAEE31850 Unknown Unknown Unknown<br>
w2wc 000000000046709D Unknown Unknown Unknown<br>
w2wc 000000000042B8B3 read_vec_ 52 read_vec.f<br>
<br>
The problem is that it works for other cases, but for this particular one it fails. Please let me know if you need more information.<br>
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