[Wien] TiC band structure error

[Karel Vyborny]

Is it really

user at computername:~$ x lapw1 -band -up

what you are running when the error appears? No other switches?

Cheers,

Karel


--- x ---
dr. Karel Vyborny
Fyzikalni ustav AV CR, v.v.i.
Cukrovarnicka 10
Praha 6, CZ-16253
tel: +420220318459


On Wed, 2 May 2018, Subhasis Panda wrote:

> Dear Sir,
> 
> I have installed Wien2k 17.1 version on a PC having core i5 with ubuntu
> 16.04 operating system, fortran compiler ifort, math libraries MKL.Then I
> was trying to reproduce the example of TiC given in the users-guide and
> successfully calculated electron density plot and DOS. But during band
> structure calculation, while running lapw1-band command the following error
> is showing. I'm using WIEN2k for the first time and have not much idea about
> it. Any help will be highly appreciated.
> 
> 
>  forrtl: severe (24): end-of-file during read, unit 5, file
> /home/anupriya/anupriya.in1c
> Image              PC                Routine            Line       
> Source             
> lapw1c             000000000046C16E  Unknown               Unknown  Unknown
> lapw1c             000000000049F695  Unknown               Unknown  Unknown
> lapw1c             00000000004427D0  parallel_mp_init_          75 
> modules_tmp_.F
> lapw1c             0000000000416AB2  gtfnam_                    89 
> gtfnam_tmp_.F
> lapw1c             0000000000433329  MAIN__                     35 
> lapw1_tmp_.F
> lapw1c             00000000004046AE  Unknown               Unknown  Unknown
> libc-2.23.so       00002B2AA003C830  __libc_start_main     Unknown  Unknown
> lapw1c             00000000004045A9  Unknown               Unknown  Unknown
> 0.0u 0.0s 0:00.55 5.4% 0+0k 24936+0io 67pf+0w
> error: command   /home/anupriya/wien2k/WIEN2k_17.1/lapw1c lapw1.def   failed
> 
> --
> 
> 
> 
> Best regards from,
> ------------------------------------------------------------
> Dr. Subhasis Panda
> Assistant Professor
> Department of Physics
> National Institute of Technology Silchar
> Assam, India  - 788010.
> 
> -------------------------------------------------------------
> 
>