<div dir="ltr"><div dir="ltr"><div dir="ltr">Dear Wien2k users, I am working on MnFe2O4 cubic structure on wien version 17.1 with OS centos7. During initso_lapw I am getting an error in x symmetryso. In certain magnetization directions like (001), (010), (100) )it is working but along (011), (110), (101), (111) I am getting error. I have used the same parameters for all the cases during initialization and I have got similar results from all of them. Here is what the error I am getting<br><pre>*** Error in `/home/dipraj/wien2k/symmetso': double free or corruption (out): 0x0000000000b44500 ***
======= Backtrace: =========
/lib64/libc.so.6(+0x7c619)[0x2aaae345c619]
/home/dipraj/wien2k/symmetso[0x44e01b]
/home/dipraj/wien2k/symmetso[0x492653]
/home/dipraj/wien2k/symmetso[0x486da1]
/home/dipraj/wien2k/symmetso[0x44b808]
/home/dipraj/wien2k/symmetso[0x4075af]
/home/dipraj/wien2k/symmetso[0x40301e]
/lib64/libc.so.6(__libc_start_main+0xf5)[0x2aaae3401c05]
/home/dipraj/wien2k/symmetso[0x402f29]
======= Memory map: ========
00400000-0051b000 r-xp 00000000 fd:02 75646                              /home/dipraj/wien2k/symmetso
0071a000-0071c000 r--p 0011a000 fd:02 75646                              /home/dipraj/wien2k/symmetso
0071c000-00726000 rw-p 0011c000 fd:02 75646                              /home/dipraj/wien2k/symmetso
00726000-00786000 rw-p 00000000 00:00 0 
00ae2000-01afb000 rw-p 00000000 00:00 0                                  [heap]
2aaae2a9a000-2aaae2abb000 r-xp 00000000 fd:00 134250240                  /usr/lib64/<a href="http://ld-2.17.so">ld-2.17.so</a>
2aaae2abb000-2aaae2abd000 rw-p 00000000 00:00 0 
2aaae2ada000-2aaae2b2b000 rw-p 00000000 00:00 0 
2aaae2cbb000-2aaae2cbc000 r--p 00021000 fd:00 134250240                  /usr/lib64/<a href="http://ld-2.17.so">ld-2.17.so</a>
2aaae2cbc000-2aaae2cbd000 rw-p 00022000 fd:00 134250240                  /usr/lib64/<a href="http://ld-2.17.so">ld-2.17.so</a>
2aaae2cbd000-2aaae2cbe000 rw-p 00000000 00:00 0 
2aaae2cbe000-2aaae2dbf000 r-xp 00000000 fd:00 134250255                  /usr/lib64/<a href="http://libm-2.17.so">libm-2.17.so</a>
2aaae2dbf000-2aaae2fbe000 ---p 00101000 fd:00 134250255                  /usr/lib64/<a href="http://libm-2.17.so">libm-2.17.so</a>
2aaae2fbe000-2aaae2fbf000 r--p 00100000 fd:00 134250255                  /usr/lib64/<a href="http://libm-2.17.so">libm-2.17.so</a>
2aaae2fbf000-2aaae2fc0000 rw-p 00101000 fd:00 134250255                  /usr/lib64/<a href="http://libm-2.17.so">libm-2.17.so</a>
2aaae2fc0000-2aaae2fd7000 r-xp 00000000 fd:00 134250273                  /usr/lib64/<a href="http://libpthread-2.17.so">libpthread-2.17.so</a>
2aaae2fd7000-2aaae31d6000 ---p 00017000 fd:00 134250273                  /usr/lib64/<a href="http://libpthread-2.17.so">libpthread-2.17.so</a>
2aaae31d6000-2aaae31d7000 r--p 00016000 fd:00 134250273                  /usr/lib64/<a href="http://libpthread-2.17.so">libpthread-2.17.so</a>
2aaae31d7000-2aaae31d8000 rw-p 00017000 fd:00 134250273                  /usr/lib64/<a href="http://libpthread-2.17.so">libpthread-2.17.so</a>
2aaae31d8000-2aaae31dc000 rw-p 00000000 00:00 0 
2aaae31dc000-2aaae31de000 r-xp 00000000 fd:00 134250253                  /usr/lib64/<a href="http://libdl-2.17.so">libdl-2.17.so</a>
2aaae31de000-2aaae33de000 ---p 00002000 fd:00 134250253                  /usr/lib64/<a href="http://libdl-2.17.so">libdl-2.17.so</a>
2aaae33de000-2aaae33df000 r--p 00002000 fd:00 134250253                  /usr/lib64/<a href="http://libdl-2.17.so">libdl-2.17.so</a>
2aaae33df000-2aaae33e0000 rw-p 00003000 fd:00 134250253                  /usr/lib64/<a href="http://libdl-2.17.so">libdl-2.17.so</a>
2aaae33e0000-2aaae3598000 r-xp 00000000 fd:00 134250247                  /usr/lib64/<a href="http://libc-2.17.so">libc-2.17.so</a>
2aaae3598000-2aaae3798000 ---p 001b8000 fd:00 134250247                  /usr/lib64/<a href="http://libc-2.17.so">libc-2.17.so</a>
2aaae3798000-2aaae379c000 r--p 001b8000 fd:00 134250247                  /usr/lib64/<a href="http://libc-2.17.so">libc-2.17.so</a>
2aaae379c000-2aaae379e000 rw-p 001bc000 fd:00 134250247                  /usr/lib64/<a href="http://libc-2.17.so">libc-2.17.so</a>
2aaae379e000-2aaae37a3000 rw-p 00000000 00:00 0 
2aaae37a3000-2aaae37b8000 r-xp 00000000 fd:00 134217804                  /usr/lib64/libgcc_s-4.8.5-20150702.so.1
2aaae37b8000-2aaae39b7000 ---p 00015000 fd:00 134217804                  /usr/lib64/libgcc_s-4.8.5-20150702.so.1
2aaae39b7000-2aaae39b8000 r--p 00014000 fd:00 134217804                  /usr/lib64/libgcc_s-4.8.5-20150702.so.1
2aaae39b8000-2aaae39b9000 rw-p 00015000 fd:00 134217804                  /usr/lib64/libgcc_s-4.8.5-20150702.so.1
2aaae4000000-2aaae4021000 rw-p 00000000 00:00 0 
2aaae4021000-2aaae8000000 ---p 00000000 00:00 0 
7ffc5151e000-7ffc51596000 rw-p 00000000 00:00 0                          [stack]
7ffc515f8000-7ffc515fa000 r-xp 00000000 00:00 0                          [vdso]
ffffffffff600000-ffffffffff601000 r-xp 00000000 00:00 0                  [vsyscall]
Abort (core dumped)
0.398u 0.034s 0:01.20 35.0%     0+0k 0+23704io 0pf+0w
error: command   /home/dipraj/wien2k/symmetso upsymmetso.def   failed</pre><div>Please help me solving this issue.<br><br></div><div>Thanking you<br></div><div>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><font color="#444444">Riyajul Islam</font><div><font color="#444444">Research 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></div>