[Wien] x symmetso error
Riyajul Islam
riyajul80 at gmail.com
Mon Dec 16 10:48:24 CET 2019
Dear Wien2k users,
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
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
Unknownld-2.23.so 00002AD9F2AEBE15 Unknown
Unknown Unknownlibc-2.23.so 00002AD9F3850FF8 Unknown
Unknown Unknownlibc-2.23.so 00002AD9F3851045 Unknown
Unknown Unknown
symmetso 000000000046D1E4 Unknown Unknown Unknown
symmetso 000000000040C191 MAIN__ 359 symmetso.f
symmetso 00000000004044F2 Unknown Unknown
Unknownlibc-2.23.so 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
Here I'm also attaching the structure file. Kindly help me solve this
problem.
Kind regards
--
Riyajul Islam
Ph.D Scholar
National Institute of Technology Nagaland
Chumukedima, Dimapur
Nagaland 797103, India
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