[Wien] TiC band structure error

[Gavin Abo]

If you are using w2web in WIEN2k 17.1, we have seen this before [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg16843.html 
].  The fixed band.pl and scf.pl files (or band.patch and scf.patch 
files) need to be used [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17169.html 
, 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg17294.html 
].

On 5/2/2018 3:55 AM, 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 <http://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

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