<div dir="ltr">Dear Wien2k users,<br clear="all"><div>I'm using wien2k 19.1 version. I'm trying to include SOC in my calculation after GGA+U was done. I did GGA+U+SOC calculations along 001 magnetization direction without any errors. But while I chose 100 direction, I get an error during x symmetso </div><div><pre style="font-family:Courier,fixed;color:rgb(0,0,0);font-size:medium;background-color:rgb(240,240,240)">forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source             
symmetso           00000000004514E3  Unknown               Unknown  Unknown
libpthread-2.23.s  00002AD9F2D14390  Unknown               Unknown  Unknown
libiomp5.so        00002AD9F355C871  Unknown               Unknown  Unknown
libiomp5.so        00002AD9F355C5E4  Unknown               Unknown  Unknown
libiomp5.so        00002AD9F355E4C5  Unknown               Unknown  Unknown
libiomp5.so        00002AD9F355F89F  Unknown               Unknown  Unknown
libiomp5.so        00002AD9F355411B  Unknown               Unknown  Unknown
libiomp5.so        00002AD9F3554007  Unknown               Unknown  Unknown
libiomp5.so        00002AD9F3553D52  Unknown               Unknown  Unknown
libiomp5.so        00002AD9F355454D  Unknown               Unknown  Unknown
libiomp5.so        00002AD9F34DDD61  Unknown               Unknown  Unknown
<a href="http://ld-2.23.so">ld-2.23.so</a>         00002AD9F2AEBE15  Unknown               Unknown  Unknown
<a href="http://libc-2.23.so">libc-2.23.so</a>       00002AD9F3850FF8  Unknown               Unknown  Unknown
<a href="http://libc-2.23.so">libc-2.23.so</a>       00002AD9F3851045  Unknown               Unknown  Unknown
symmetso           000000000046D1E4  Unknown               Unknown  Unknown
symmetso           000000000040C191  MAIN__                    359  symmetso.f
symmetso           00000000004044F2  Unknown               Unknown  Unknown
<a href="http://libc-2.23.so">libc-2.23.so</a>       00002AD9F3837830  __libc_start_main     Unknown  Unknown
symmetso           00000000004043E9  Unknown               Unknown  Unknown
0.6u 0.0s 0:00.71 100.0% 0+0k 0+42368io 0pf+0w
error: command   /home/edison/Wien2k19.1/symmetso upsymmetso.def   failed</pre></div><div>Here I'm also attaching the structure file. Kindly help me solve this problem.</div><div><br></div><div>Kind regards</div><div><br></div>-- <br><div dir="ltr" class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr"><div><div dir="ltr"><font color="#444444">Riyajul Islam</font><div><font color="#444444">Ph.D Scholar</font></div><div><font color="#444444">National Institute of Technology Nagaland<br></font></div><div><div><font face="arial, helvetica, sans-serif" color="#444444">Chumukedima, Dimapur</font></div><div><font face="arial, helvetica, sans-serif" color="#444444">Nagaland 797103, India</font></div></div><div><br></div></div></div></div></div></div>