[Wien] TiC band structure error

[Subhasis Panda]

Thanks a lot for the help.

On May 2, 2018 5:10 PM, "Gavin Abo" <gsabo at crimson.ua.edu> wrote:

> 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 at 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       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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