---------- Forwarded message --------- From: karina Khan <karinakhan...@gmail.com> Date: Thu, 22 Jun, 2023, 11:32 AM Subject: x spaghetti error To: <peter.bl...@tuwien.ac.at>
Dear wien2k community, I try to calculate band structure with mBJ model installed in wien2K 21.1 for 9 atoms when I execute x_spaghetti appear this error: At line 232 of file spag.f (unit = 30, file = 'case.irrep') Fortran runtime error: Bad value during integer read error:........../wien/spaghetti spaghetti.def failed best regards, Error termination Backtrace: #0 0*1462f4423ad0 in ??? #1 0*1462f4424649 in ??? #2 0*1462f4424527f in ??? #3 0*1462f46245dca in ??? #4 0*1462f442499e9 in ??? #5 0*1462f4424b185 in ??? #6 0*1462f444583a9 in ??? #7 0*1462f4424350f in ??? #8 0*1462f4424350f in ??? at ../sysdeps/nptl/libc_start_call_main #10 0*1462f4424527f in ??? #11 0*1462f4424527f in ??? 0.195u 0.023s 0:00.55 38.1% 0+0k 12504+io 53pf+0w *Thanks & Regards* *Karina Khan*
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