[Wien] Error in bandstructure using x spaghetti

[Peter Blaha]

It is obvious that the error occurs while reading the input file *.insp

Most likely you did not put the correct Fermi energy into this file. By 
default there is a   x.xxxx  laceholder and this has to be replaced by 
your EF (which you can find in your scf file (grep :FER case.scf).

Regards

Am 15.11.2023 um 08:12 schrieb 夏宇阳:
> Hi,
> I am facing a error in the bandstructure with the commandline x spaghetti.My compiler is gfortran and openblas in Ubuntu.Program input is: ""
> 
> At line 37 of file inview.f (unit = 5, file = 'TiC_2.insp')
> Fortran runtime error: Bad real number in item 2 of list input
> 
> Error termination. Backtrace:
> #0  0x14c33ec23960 in ???
> #1  0x14c33ec244d9 in ???
> #2  0x14c33ec2510f in ???
> #3  0x14c33ee701b6 in ???
> #4  0x14c33ee715fd in ???
> #5  0x14c33ee722aa in ???
> #6  0x55d306f3fc93 in ???
> #7  0x55d306f43ef2 in ???
> #8  0x55d306f3731e in ???
> #9  0x14c33e829d8f in __libc_start_call_main
> 	at ../sysdeps/nptl/libc_start_call_main.h:58
> #10  0x14c33e829e3f in __libc_start_main_impl
> 	at ../csu/libc-start.c:392
> #11  0x55d306f37344 in ???
> #12  0xffffffffffffffff in ???
> 0.083u 0.015s 0:00.09 100.0%	0+0k 0+16io 0pf+0w
> error: command   /home/xyy/wien2k/spaghetti spaghetti.def   failed
> 
> Could you help me to solve it? Thank you very much!
> Best wishes!
> 
> 
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300
Email: peter.blaha at tuwien.ac.at    WIEN2k: http://www.wien2k.at
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