[Wien] Fwd: x spaghetti error

karina Khan karinakhan996 at gmail.com
Thu Jun 22 09:27:36 CEST 2023


---------- Forwarded message ---------
From: karina Khan <karinakhan996 at gmail.com>
Date: Thu, 22 Jun, 2023, 11:32 AM
Subject: x spaghetti error
To: <peter.blaha at 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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